N-(5-Bromopyridin-3-yl)cyclopropanesulfonamide

Specification:
| Synonyms N-(5-bromopyridin-3-yl)cyclopropanesulfonamide, 1083326-19-5, SureCN783676, AKOS016014405, RL00354, AK129660, KB-56051 | IUPAC Name N-(5-bromopyridin-3-yl)cyclopropanesulfonamide | Canonical SMILES C1CC1S(=O)(=O)NC2=CC(=CN=C2)Br | InChI Key XOUPUFNVVWWHER-UHFFFAOYSA-N | Exact Mass 275.95700 | H-Bond Acceptor 4 | H-Bond Donor 1 What is the molecular formula of the compound? The molecular formula is C8H9BrN2O2S. What is the IUPAC name of the compound? The IUPAC name is N-(5-bromopyridin-3-yl)cyclopropanesulfonamide. What is the molecular weight of the compound? The molecular weight is 277.14 g/mol. What is the InChI of the compound? The InChI is InChI=1S/C8H9BrN2O2S/c9-6-3-7(5-10-4-6)11-14(12,13)8-1-2-8/h3-5,8,11H,1-2H2. What is the InChIKey of the compound? The InChIKey is XOUPUFNVVWWHER-UHFFFAOYSA-N. What is the Canonical SMILES of the compound? The Canonical SMILES is C1CC1S(=O)(=O)NC2=CC(=CN=C2)Br. What is the CAS number of the compound? The CAS number is 1083326-19-5. What is the DSSTox Substance ID of the compound? The DSSTox Substance ID is DTXSID00728111. What is the XLogP3-AA value of the compound? The XLogP3-AA value is 1.1. Is the compound considered as the canonicalized form? Yes, the compound is considered as the canonicalized form.

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