2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide

C13H10BrClN2O3S — CID 103763941

IUPAC2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C13H10BrClN2O3S/c1-21(19,20)12-5-3-9(7-16-12)17-13(18)10-4-2-8(15)6-11(10)14/h2-7H,1H3,(H,17,18)
InChIKeyRPWLXNWAADOFPQ-UHFFFAOYSA-N
MW389.66 g/mol
LogP3.15
Rot. Bonds3

About 2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide

2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide (PubChem CID 103763941) has the molecular formula C13H10BrClN2O3S and a molecular weight of 389.66 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide
PubChem CID103763941
Molecular FormulaC13H10BrClN2O3S
Molecular Weight389.66 g/mol
Exact Mass387.93
IUPAC Name2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C13H10BrClN2O3S/c1-21(19,20)12-5-3-9(7-16-12)17-13(18)10-4-2-8(15)6-11(10)14/h2-7H,1H3,(H,17,18)
InChIKeyRPWLXNWAADOFPQ-UHFFFAOYSA-N
XLogP3.15
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.66
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 62000829
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
CID 103763178
4-fluoro-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 63213093
4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 47037064
2-bromo-4-chloro-N-(4-formylphenyl)benzamide
CID 107987879
2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
CID 103763181
2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
CID 107993837
2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide
CID 112739552
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide (CID 103763941) is 2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide is CS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cn1.
What is the InChIKey of 2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
The InChIKey is RPWLXNWAADOFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O3S/c1-21(19,20)12-5-3-9(7-16-12)17-13(18)10-4-2-8(15)6-11(10)14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide?
2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide has a molecular weight of 389.66 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide is sourced from PubChem (CID 103763941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).