2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C19H16BrClN2O2S — CID 52634284

IUPAC2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C19H16BrClN2O2S/c1-14-4-9-19(18(20)11-14)26(24,25)23(13-15-3-2-10-22-12-15)17-7-5-16(21)6-8-17/h2-12H,13H2,1H3
InChIKeyDSZOKWRAHSVLME-UHFFFAOYSA-N
MW451.77 g/mol
LogP5.20
Rot. Bonds5

About 2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 52634284) has the molecular formula C19H16BrClN2O2S and a molecular weight of 451.77 g/mol. Its IUPAC name is 2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID52634284
Molecular FormulaC19H16BrClN2O2S
Molecular Weight451.77 g/mol
Exact Mass449.98
IUPAC Name2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C19H16BrClN2O2S/c1-14-4-9-19(18(20)11-14)26(24,25)23(13-15-3-2-10-22-12-15)17-7-5-16(21)6-8-17/h2-12H,13H2,1H3
InChIKeyDSZOKWRAHSVLME-UHFFFAOYSA-N
XLogP5.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.77
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-bromo-4-methyl-N-phenylbenzenesulfonamide
CID 113232443
4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634270
2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide
CID 52708261
4-chloro-N-(4-chlorophenyl)-2-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52708249
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
methyl 4-chloro-3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 52634255
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 52634275
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 52634284) is 2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is DSZOKWRAHSVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O2S/c1-14-4-9-19(18(20)11-14)26(24,25)23(13-15-3-2-10-22-12-15)17-7-5-16(21)6-8-17/h2-12H,13H2,1H3.
What are the key properties of 2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 451.77 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 52634284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).