N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide

C12H7BrCl2FNO2S — CID 28829056

IUPACN-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7BrCl2FNO2S/c13-7-1-2-12(11(16)3-7)17-20(18,19)10-5-8(14)4-9(15)6-10/h1-6,17H
InChIKeyYRXIGICTOUUKHN-UHFFFAOYSA-N
MW399.07 g/mol
LogP4.70
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide

N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide (PubChem CID 28829056) has the molecular formula C12H7BrCl2FNO2S and a molecular weight of 399.07 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
PubChem CID28829056
Molecular FormulaC12H7BrCl2FNO2S
Molecular Weight399.07 g/mol
Exact Mass396.87
IUPAC NameN-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7BrCl2FNO2S/c13-7-1-2-12(11(16)3-7)17-20(18,19)10-5-8(14)4-9(15)6-10/h1-6,17H
InChIKeyYRXIGICTOUUKHN-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

2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146
N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide
CID 26969862
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide
CID 107798417
3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide
CID 146601038
3-amino-N-(4-bromo-2-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 29040272
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79186703
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
N-(4-bromo-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28530143

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide (CID 28829056) is N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1F)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide?
The InChIKey is YRXIGICTOUUKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO2S/c13-7-1-2-12(11(16)3-7)17-20(18,19)10-5-8(14)4-9(15)6-10/h1-6,17H.
What are the key properties of N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide?
N-(4-bromo-2-fluorophenyl)-3,5-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-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 28829056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).