N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide

C12H8BrClFNO2S — CID 4844517

IUPACN-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C12H8BrClFNO2S/c13-8-1-6-12(11(14)7-8)16-19(17,18)10-4-2-9(15)3-5-10/h1-7,16H
InChIKeySGUARZPJRPMIAW-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.04
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide

N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 4844517) has the molecular formula C12H8BrClFNO2S and a molecular weight of 364.62 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide
PubChem CID4844517
Molecular FormulaC12H8BrClFNO2S
Molecular Weight364.62 g/mol
Exact Mass362.91
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C12H8BrClFNO2S/c13-8-1-6-12(11(14)7-8)16-19(17,18)10-4-2-9(15)3-5-10/h1-7,16H
InChIKeySGUARZPJRPMIAW-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-(2-Chlorophenyl)benzenesulfonamide
CID 252039
4'-Bromobenzenesulfonanilide
CID 293101
N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 341408
N-(4-bromophenyl)-4-chlorobenzenesulfonamide
CID 598509
3-amino-N-(4-bromophenyl)-4-chlorobenzene-1-sulfonamide
CID 3715706
4-bromo-N-(4-chlorophenyl)benzenesulfonamide
CID 4321654
N-(4-Chlorophenyl)-4-fluorobenzenesulfonamide
CID 341407
4'-Fluoro-2'-bromobenzenesulfonanilide
CID 871861
N-(4-bromo-2-chlorophenyl)methanesulfonamide
CID 22774632
N-(4-bromophenyl)-3-chlorobenzenesulfonamide
CID 8190105
N-(3-chlorophenyl)-4-fluorobenzenesulfonamide
CID 341409
4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide
CID 1312319

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide (CID 4844517) is N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is SGUARZPJRPMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO2S/c13-8-1-6-12(11(14)7-8)16-19(17,18)10-4-2-9(15)3-5-10/h1-7,16H.
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide?
N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide 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 N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 4844517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).