5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide

C13H10BrN3O2S — CID 103920613

IUPAC5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cncc(Br)c2)c1C#N
InChIInChI=1S/C13H10BrN3O2S/c1-9-3-2-4-13(12(9)6-15)17-20(18,19)11-5-10(14)7-16-8-11/h2-5,7-8,17H,1H3
InChIKeySWTJLQQMBFYRFC-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.83
Rot. Bonds3

About 5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide

5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide (PubChem CID 103920613) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is 5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide
PubChem CID103920613
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC Name5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cncc(Br)c2)c1C#N
InChIInChI=1S/C13H10BrN3O2S/c1-9-3-2-4-13(12(9)6-15)17-20(18,19)11-5-10(14)7-16-8-11/h2-5,7-8,17H,1H3
InChIKeySWTJLQQMBFYRFC-UHFFFAOYSA-N
XLogP2.83
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-bromo-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802523
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide
CID 81496242
2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride
CID 116814286
3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 100616708
4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 60823914
N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 103920662
5-bromo-N-(3-hydroxy-4-methylphenyl)pyridine-3-sulfonamide
CID 64794054
N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 107804251
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide (CID 103920613) is 5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide is Cc1cccc(NS(=O)(=O)c2cncc(Br)c2)c1C#N.
What is the InChIKey of 5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is SWTJLQQMBFYRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c1-9-3-2-4-13(12(9)6-15)17-20(18,19)11-5-10(14)7-16-8-11/h2-5,7-8,17H,1H3.
What are the key properties of 5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide?
5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 352.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103920613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).