N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide

C12H7BrCl2FNO2S — CID 3701608

IUPACN-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7BrCl2FNO2S/c13-9-6-8(16)2-4-11(9)17-20(18,19)12-5-7(14)1-3-10(12)15/h1-6,17H
InChIKeySPFGSCCGFUWNKB-UHFFFAOYSA-N
MW399.07 g/mol
LogP4.70
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide

N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide (PubChem CID 3701608) has the molecular formula C12H7BrCl2FNO2S and a molecular weight of 399.07 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
PubChem CID3701608
Molecular FormulaC12H7BrCl2FNO2S
Molecular Weight399.07 g/mol
Exact Mass396.87
IUPAC NameN-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7BrCl2FNO2S/c13-9-6-8(16)2-4-11(9)17-20(18,19)12-5-7(14)1-3-10(12)15/h1-6,17H
InChIKeySPFGSCCGFUWNKB-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-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide (CID 3701608) is N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1Br)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is SPFGSCCGFUWNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO2S/c13-9-6-8(16)2-4-11(9)17-20(18,19)12-5-7(14)1-3-10(12)15/h1-6,17H.
What are the key properties of N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide?
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide 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 N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 3701608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).