2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide

C19H15BrN2O3S2 — CID 52659798

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1
InChIInChI=1S/C19H15BrN2O3S2/c1-27(24,25)15-9-7-14(8-10-15)22-19(23)16-4-2-3-5-17(16)26-18-11-6-13(20)12-21-18/h2-12H,1H3,(H,22,23)
InChIKeyWVEMZYACGBFMNS-UHFFFAOYSA-N
MW463.38 g/mol
LogP4.65
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide (PubChem CID 52659798) has the molecular formula C19H15BrN2O3S2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide
PubChem CID52659798
Molecular FormulaC19H15BrN2O3S2
Molecular Weight463.38 g/mol
Exact Mass461.97
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1
InChIInChI=1S/C19H15BrN2O3S2/c1-27(24,25)15-9-7-14(8-10-15)22-19(23)16-4-2-3-5-17(16)26-18-11-6-13(20)12-21-18/h2-12H,1H3,(H,22,23)
InChIKeyWVEMZYACGBFMNS-UHFFFAOYSA-N
XLogP4.65
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide
CID 56500163
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide
CID 55811010
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 55966509
5-bromo-2-(4-methylsulfonylphenyl)sulfanylpyridine
CID 63237967
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 55811408
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[3-(methylamino)propyl]benzamide;dihydrochloride
CID 119432163
2-[(5-bromo-2-pyridinyl)sulfanyl]-N'-[3-(dimethylamino)benzoyl]benzohydrazide
CID 55966633
N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
CID 60650971
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119452204
2-amino-4-bromo-N-(4-methylsulfonylphenyl)benzamide
CID 79704047
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide (CID 52659798) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide?
The InChIKey is WVEMZYACGBFMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3S2/c1-27(24,25)15-9-7-14(8-10-15)22-19(23)16-4-2-3-5-17(16)26-18-11-6-13(20)12-21-18/h2-12H,1H3,(H,22,23).
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide?
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide has a molecular weight of 463.38 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 52659798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).