4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide

C14H14Cl2N2O2S — CID 104725769

IUPAC4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)c(C)cc2Cl)ccc1N
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-6-12(16)14(7-11(8)15)18-21(19,20)10-3-4-13(17)9(2)5-10/h3-7,18H,17H2,1-2H3
InChIKeyBCDRBGLMBGINSX-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.99
Rot. Bonds3

About 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide

4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide (PubChem CID 104725769) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide
PubChem CID104725769
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)c(C)cc2Cl)ccc1N
InChIInChI=1S/C14H14Cl2N2O2S/c1-8-6-12(16)14(7-11(8)15)18-21(19,20)10-3-4-13(17)9(2)5-10/h3-7,18H,17H2,1-2H3
InChIKeyBCDRBGLMBGINSX-UHFFFAOYSA-N
XLogP3.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-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

4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 107624554
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide (CID 104725769) is 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)c(C)cc2Cl)ccc1N.
What is the InChIKey of 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is BCDRBGLMBGINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-8-6-12(16)14(7-11(8)15)18-21(19,20)10-3-4-13(17)9(2)5-10/h3-7,18H,17H2,1-2H3.
What are the key properties of 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide?
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 104725769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).