N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide

C12H10BrClN2O2S — CID 43550719

IUPACN-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
SMILESNc1ccc(Cl)c(NS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C12H10BrClN2O2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-7-9(15)4-5-11(12)14/h1-7,16H,15H2
InChIKeyGWAXFJMPUNCEJV-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.49
Rot. Bonds3

About N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide

N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide (PubChem CID 43550719) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
PubChem CID43550719
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC NameN-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
SMILESNc1ccc(Cl)c(NS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C12H10BrClN2O2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-7-9(15)4-5-11(12)14/h1-7,16H,15H2
InChIKeyGWAXFJMPUNCEJV-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

N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
4-[(3-bromophenyl)sulfonylamino]-3-chlorobenzenecarbothioamide
CID 107808707
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide (CID 43550719) is N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide is Nc1ccc(Cl)c(NS(=O)(=O)c2cccc(Br)c2)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide?
The InChIKey is GWAXFJMPUNCEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-7-9(15)4-5-11(12)14/h1-7,16H,15H2.
What are the key properties of N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide?
N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide 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-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide is sourced from PubChem (CID 43550719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).