N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide

C12H10BrClN2O2S — CID 82861438

IUPACN-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C12H10BrClN2O2S/c13-11-7-9(3-6-12(11)15)16-19(17,18)10-4-1-8(14)2-5-10/h1-7,16H,15H2
InChIKeyHOGNYTQOTIGLRQ-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.49
Rot. Bonds3

About N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide

N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide (PubChem CID 82861438) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
PubChem CID82861438
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC NameN-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C12H10BrClN2O2S/c13-11-7-9(3-6-12(11)15)16-19(17,18)10-4-1-8(14)2-5-10/h1-7,16H,15H2
InChIKeyHOGNYTQOTIGLRQ-UHFFFAOYSA-N
XLogP3.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-bromo-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775504
4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
N-(4-amino-3-hydroxyphenyl)-4-chlorobenzenesulfonamide
CID 174644822
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
CID 82862185
N-(4-amino-3-bromophenyl)-3-methylbenzenesulfonamide
CID 82861740
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide (CID 82861438) is N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide?
The InChIKey is HOGNYTQOTIGLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c13-11-7-9(3-6-12(11)15)16-19(17,18)10-4-1-8(14)2-5-10/h1-7,16H,15H2.
What are the key properties of N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide?
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide has a molecular weight of 361.65 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 82861438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).