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

C12H7BrCl2FNO2S — CID 134367201

IUPAC4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H7BrCl2FNO2S/c13-8-5-4-7(6-10(8)15)20(18,19)17-11-3-1-2-9(14)12(11)16/h1-6,17H
InChIKeyRWLNOHXJABCLHX-UHFFFAOYSA-N
MW399.07 g/mol
LogP4.70
Rot. Bonds3

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

4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide (PubChem CID 134367201) has the molecular formula C12H7BrCl2FNO2S and a molecular weight of 399.07 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
PubChem CID134367201
Molecular FormulaC12H7BrCl2FNO2S
Molecular Weight399.07 g/mol
Exact Mass396.87
IUPAC Name4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H7BrCl2FNO2S/c13-8-5-4-7(6-10(8)15)20(18,19)17-11-3-1-2-9(14)12(11)16/h1-6,17H
InChIKeyRWLNOHXJABCLHX-UHFFFAOYSA-N
XLogP4.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.07
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-4-chlorobenzenesulfonamide
CID 598509
4-bromo-N-(4-chlorophenyl)benzenesulfonamide
CID 4321654
N-(4-bromophenyl)-3-chlorobenzenesulfonamide
CID 8190105
N-(3-chlorophenyl)-4-fluorobenzenesulfonamide
CID 341409
4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide
CID 1312319
4-bromo-N-(4-fluorophenyl)benzenesulfonamide
CID 3447682
4-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 822548
N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 849044
3-chloro-N-(2-fluorophenyl)benzenesulfonamide
CID 889615
N-(3-chlorophenyl)-3-fluorobenzenesulfonamide
CID 889823
N-(4-bromo-2-fluorophenyl)-3-chlorobenzenesulfonamide
CID 983861
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 1118244

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide (CID 134367201) is 4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1F)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide?
The InChIKey is RWLNOHXJABCLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO2S/c13-8-5-4-7(6-10(8)15)20(18,19)17-11-3-1-2-9(14)12(11)16/h1-6,17H.
What are the key properties of 4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide?
4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide has a molecular weight of 399.07 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 134367201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).