N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide

C13H12Cl2N2O2S — CID 3637630

IUPACN-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(N)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-2-4-9(5-3-8)20(18,19)17-13-7-10(14)12(16)6-11(13)15/h2-7,17H,16H2,1H3
InChIKeyBZQFFPJNFCCKFD-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.68
Rot. Bonds3

About N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide

N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide (PubChem CID 3637630) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
PubChem CID3637630
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC NameN-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(N)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-2-4-9(5-3-8)20(18,19)17-13-7-10(14)12(16)6-11(13)15/h2-7,17H,16H2,1H3
InChIKeyBZQFFPJNFCCKFD-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'}

Analyze N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 104725769
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828237
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 43256385
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 154116632
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]boronic acid
CID 169370367
N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
CID 57028316

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide (CID 3637630) is N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(N)cc2Cl)cc1.
What is the InChIKey of N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is BZQFFPJNFCCKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-8-2-4-9(5-3-8)20(18,19)17-13-7-10(14)12(16)6-11(13)15/h2-7,17H,16H2,1H3.
What are the key properties of N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide?
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide 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 N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3637630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).