3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide

C13H12Cl2N2O2S — CID 28967482

IUPAC3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(N)c2)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-2-5-13(11(15)6-8)17-20(18,19)9-3-4-10(14)12(16)7-9/h2-7,17H,16H2,1H3
InChIKeyHMAICFZEJODDIN-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.68
Rot. Bonds3

About 3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide

3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide (PubChem CID 28967482) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
PubChem CID28967482
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(N)c2)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-2-5-13(11(15)6-8)17-20(18,19)9-3-4-10(14)12(16)7-9/h2-7,17H,16H2,1H3
InChIKeyHMAICFZEJODDIN-UHFFFAOYSA-N
XLogP3.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.68
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-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 62145281

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide (CID 28967482) is 3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(N)c2)c(Cl)c1.
What is the InChIKey of 3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide?
The InChIKey is HMAICFZEJODDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-8-2-5-13(11(15)6-8)17-20(18,19)9-3-4-10(14)12(16)7-9/h2-7,17H,16H2,1H3.
What are the key properties of 3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide?
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 28967482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).