2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide

C12H8BrClFNO2S — CID 47310409

IUPAC2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(F)c1)c1ccccc1Br
InChIInChI=1S/C12H8BrClFNO2S/c13-9-3-1-2-4-12(9)19(17,18)16-8-5-6-10(14)11(15)7-8/h1-7,16H
InChIKeyKYFWGPSDIICXGS-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.04
Rot. Bonds3

About 2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide

2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide (PubChem CID 47310409) has the molecular formula C12H8BrClFNO2S and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
PubChem CID47310409
Molecular FormulaC12H8BrClFNO2S
Molecular Weight364.62 g/mol
Exact Mass362.91
IUPAC Name2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(F)c1)c1ccccc1Br
InChIInChI=1S/C12H8BrClFNO2S/c13-9-3-1-2-4-12(9)19(17,18)16-8-5-6-10(14)11(15)7-8/h1-7,16H
InChIKeyKYFWGPSDIICXGS-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzenesulfonamide
CID 62153791
N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115649180
N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide
CID 81245009
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
N-(4-chloro-3-fluorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61468313
2-bromo-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65030964
N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088310
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446
2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide
CID 26949865
5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 61467096
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide (CID 47310409) is 2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(F)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide?
The InChIKey is KYFWGPSDIICXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO2S/c13-9-3-1-2-4-12(9)19(17,18)16-8-5-6-10(14)11(15)7-8/h1-7,16H.
What are the key properties of 2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide?
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide has a molecular weight of 364.62 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 47310409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).