4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide

C20H20N2O2S — CID 46831774

IUPAC4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccccc2C)cc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C20H20N2O2S/c1-14-5-3-4-6-19(14)16-8-7-15(2)20(13-16)22-25(23,24)18-11-9-17(21)10-12-18/h3-13,22H,21H2,1-2H3
InChIKeyMXPGKZTWUYXEHH-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.35
Rot. Bonds4

About 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide

4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide (PubChem CID 46831774) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide
PubChem CID46831774
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ccccc2C)cc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C20H20N2O2S/c1-14-5-3-4-6-19(14)16-8-7-15(2)20(13-16)22-25(23,24)18-11-9-17(21)10-12-18/h3-13,22H,21H2,1-2H3
InChIKeyMXPGKZTWUYXEHH-UHFFFAOYSA-N
XLogP4.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide 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

N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 154116632
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide
CID 67282863
N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
CID 28973446
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide
CID 4904992
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide (CID 46831774) is 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide is Cc1ccc(-c2ccccc2C)cc1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide?
The InChIKey is MXPGKZTWUYXEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-5-3-4-6-19(14)16-8-7-15(2)20(13-16)22-25(23,24)18-11-9-17(21)10-12-18/h3-13,22H,21H2,1-2H3.
What are the key properties of 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide?
4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-5-(2-methylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46831774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).