4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide

C20H20N2O3S — CID 100591343

IUPAC4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C20H20N2O3S/c1-25-20-10-6-5-9-19(20)22(15-16-7-3-2-4-8-16)26(23,24)18-13-11-17(21)12-14-18/h2-14H,15,21H2,1H3
InChIKeyKSLPGOAVLRNIQC-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.67
Rot. Bonds6

About 4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide

4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 100591343) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID100591343
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C20H20N2O3S/c1-25-20-10-6-5-9-19(20)22(15-16-7-3-2-4-8-16)26(23,24)18-13-11-17(21)12-14-18/h2-14H,15,21H2,1H3
InChIKeyKSLPGOAVLRNIQC-UHFFFAOYSA-N
XLogP3.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-benzyl-N-(2-methoxyphenyl)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

4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
N-benzyl-N-(2-methoxyphenyl)methanesulfonamide
CID 6459309
N-benzyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 3428518
N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide
CID 91359794
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
CID 2668410
methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate
CID 2671799
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-benzylamino]-N-propylbutanamide
CID 100537703
N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172216

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide (CID 100591343) is 4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is KSLPGOAVLRNIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-25-20-10-6-5-9-19(20)22(15-16-7-3-2-4-8-16)26(23,24)18-13-11-17(21)12-14-18/h2-14H,15,21H2,1H3.
What are the key properties of 4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide?
4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 100591343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).