2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide

C12H7BrClF2NO2S — CID 154840283

IUPAC2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1F)c1cccc(Cl)c1Br
InChIInChI=1S/C12H7BrClF2NO2S/c13-11-7(14)3-1-6-10(11)20(18,19)17-9-5-2-4-8(15)12(9)16/h1-6,17H
InChIKeyRCCPDGKOPNWBQC-UHFFFAOYSA-N
MW382.61 g/mol
LogP4.18
Rot. Bonds3

About 2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide

2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide (PubChem CID 154840283) has the molecular formula C12H7BrClF2NO2S and a molecular weight of 382.61 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
PubChem CID154840283
Molecular FormulaC12H7BrClF2NO2S
Molecular Weight382.61 g/mol
Exact Mass380.90
IUPAC Name2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1F)c1cccc(Cl)c1Br
InChIInChI=1S/C12H7BrClF2NO2S/c13-11-7(14)3-1-6-10(11)20(18,19)17-9-5-2-4-8(15)12(9)16/h1-6,17H
InChIKeyRCCPDGKOPNWBQC-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2093570
4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
CID 103480213
5-amino-N-(2-bromo-3-chlorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 103477337
N-(2-bromo-3-chlorophenyl)-2,4-difluorobenzenesulfonamide
CID 103480186
N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62146722
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
CID 139011372
2-bromo-3-chloro-N-methylbenzenesulfonamide
CID 130173119
2-amino-4-bromo-N-(2-bromo-3-chlorophenyl)benzenesulfonamide
CID 103477338
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide (CID 154840283) is 2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(F)c1F)c1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide?
The InChIKey is RCCPDGKOPNWBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2NO2S/c13-11-7(14)3-1-6-10(11)20(18,19)17-9-5-2-4-8(15)12(9)16/h1-6,17H.
What are the key properties of 2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide?
2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide has a molecular weight of 382.61 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 154840283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).