4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide

C15H18N2O3S — CID 107229581

IUPAC4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-8-14(16)6-7-15(11)21(19,20)17-9-12-2-4-13(10-18)5-3-12/h2-8,17-18H,9-10,16H2,1H3
InChIKeyOHVXQAMQSRLXAJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.55
Rot. Bonds5

About 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide

4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide (PubChem CID 107229581) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
PubChem CID107229581
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-8-14(16)6-7-15(11)21(19,20)17-9-12-2-4-13(10-18)5-3-12/h2-8,17-18H,9-10,16H2,1H3
InChIKeyOHVXQAMQSRLXAJ-UHFFFAOYSA-N
XLogP1.55
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-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-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107212459
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561
5-amino-2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229551
4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 61400770
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
CID 43257168
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899208
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106369295
4-amino-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126624
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 107229545
4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479654

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide (CID 107229581) is 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NCc1ccc(CO)cc1.
What is the InChIKey of 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is OHVXQAMQSRLXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-8-14(16)6-7-15(11)21(19,20)17-9-12-2-4-13(10-18)5-3-12/h2-8,17-18H,9-10,16H2,1H3.
What are the key properties of 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide?
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 107229581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).