4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide

C15H18N2O3S — CID 107212459

IUPAC4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCc1cccc(CO)c1
InChIInChI=1S/C15H18N2O3S/c1-11-7-14(16)5-6-15(11)21(19,20)17-9-12-3-2-4-13(8-12)10-18/h2-8,17-18H,9-10,16H2,1H3
InChIKeyMZKPWCSLWUYYOK-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.55
Rot. Bonds5

About 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide

4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide (PubChem CID 107212459) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
PubChem CID107212459
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCc1cccc(CO)c1
InChIInChI=1S/C15H18N2O3S/c1-11-7-14(16)5-6-15(11)21(19,20)17-9-12-3-2-4-13(8-12)10-18/h2-8,17-18H,9-10,16H2,1H3
InChIKeyMZKPWCSLWUYYOK-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'}

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Related Compounds

4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107229581
4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 61400770
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
ethyl 2-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]acetate
CID 63311718
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 107212436
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
CID 43257168
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561
3-amino-4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107212446
5-amino-2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229551
4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 43258744

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide (CID 107212459) is 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NCc1cccc(CO)c1.
What is the InChIKey of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is MZKPWCSLWUYYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-7-14(16)5-6-15(11)21(19,20)17-9-12-3-2-4-13(8-12)10-18/h2-8,17-18H,9-10,16H2,1H3.
What are the key properties of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide?
4-amino-N-[[3-(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-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 107212459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).