N-(4-bromophenyl)-4-chlorobenzenesulfonamide

C12H9BrClNO2S — CID 598509

IUPACN-(4-bromophenyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9BrClNO2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H
InChIKeyMHCWIXMBTKALBR-UHFFFAOYSA-N
MW346.63 g/mol
LogP3.90
Rot. Bonds3

About N-(4-bromophenyl)-4-chlorobenzenesulfonamide

N-(4-bromophenyl)-4-chlorobenzenesulfonamide (PubChem CID 598509) has the molecular formula C12H9BrClNO2S and a molecular weight of 346.63 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-chlorobenzenesulfonamide
PubChem CID598509
Molecular FormulaC12H9BrClNO2S
Molecular Weight346.63 g/mol
Exact Mass344.92
IUPAC NameN-(4-bromophenyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9BrClNO2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H
InChIKeyMHCWIXMBTKALBR-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.63
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Chlorophenyl)benzenesulfonamide
CID 252039
4'-Bromobenzenesulfonanilide
CID 293101
3-amino-N-(4-bromophenyl)benzene-1-sulfonamide
CID 3568545
N-(4-Chlorophenyl)benzenesulfonamide
CID 20865
N-(4-aminophenyl)-4-chlorobenzenesulfonamide
CID 4651464
N-(3-Chlorophenyl)benzenesulfonamide
CID 555626
4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 4788452
3',4-Dichlorobenzenesulfonanilide
CID 306214
4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 710439
3-amino-N-(4-bromophenyl)-4-chlorobenzene-1-sulfonamide
CID 3715706
3-chloro-N-phenylbenzenesulfonamide
CID 3865807
4-chloro-N-phenylbenzenesulfonamide
CID 766444

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-4-chlorobenzenesulfonamide (CID 598509) is N-(4-bromophenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-4-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-chlorobenzenesulfonamide?
The InChIKey is MHCWIXMBTKALBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H.
What are the key properties of N-(4-bromophenyl)-4-chlorobenzenesulfonamide?
N-(4-bromophenyl)-4-chlorobenzenesulfonamide has a molecular weight of 346.63 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 598509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).