N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide

C13H12BrClN2O2S — CID 28941589

IUPACN-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H12BrClN2O2S/c1-17(11-5-3-10(16)4-6-11)20(18,19)13-7-2-9(14)8-12(13)15/h2-8H,16H2,1H3
InChIKeyLILWQKXUBYYXKF-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.51
Rot. Bonds3

About N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide

N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide (PubChem CID 28941589) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide
PubChem CID28941589
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC NameN-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H12BrClN2O2S/c1-17(11-5-3-10(16)4-6-11)20(18,19)13-7-2-9(14)8-12(13)15/h2-8H,16H2,1H3
InChIKeyLILWQKXUBYYXKF-UHFFFAOYSA-N
XLogP3.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide (CID 28941589) is N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide is CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide?
The InChIKey is LILWQKXUBYYXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-17(11-5-3-10(16)4-6-11)20(18,19)13-7-2-9(14)8-12(13)15/h2-8H,16H2,1H3.
What are the key properties of N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide?
N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 28941589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).