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

C18H14BrClN2O2S — CID 52634270

IUPAC4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14BrClN2O2S/c19-15-3-9-18(10-4-15)25(23,24)22(13-14-2-1-11-21-12-14)17-7-5-16(20)6-8-17/h1-12H,13H2
InChIKeyCXDUYUXPVNPBLR-UHFFFAOYSA-N
MW437.75 g/mol
LogP4.89
Rot. Bonds5

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

4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 52634270) has the molecular formula C18H14BrClN2O2S and a molecular weight of 437.75 g/mol. Its IUPAC name is 4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID52634270
Molecular FormulaC18H14BrClN2O2S
Molecular Weight437.75 g/mol
Exact Mass435.96
IUPAC Name4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14BrClN2O2S/c19-15-3-9-18(10-4-15)25(23,24)22(13-14-2-1-11-21-12-14)17-7-5-16(20)6-8-17/h1-12H,13H2
InChIKeyCXDUYUXPVNPBLR-UHFFFAOYSA-N
XLogP4.89
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.75
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 52634275
2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide
CID 52708261
2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634284
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
4-chloro-N-(4-chlorophenyl)-2-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52708249
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
4-bromo-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23998599
4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide
CID 102095863
N-benzyl-N-(3-bromophenyl)-4-chlorobenzenesulfonamide
CID 46021781

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 52634270) is 4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Br)cc1)N(Cc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is CXDUYUXPVNPBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2S/c19-15-3-9-18(10-4-15)25(23,24)22(13-14-2-1-11-21-12-14)17-7-5-16(20)6-8-17/h1-12H,13H2.
What are the key properties of 4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 437.75 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 52634270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).