1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide

C14H16N2O3S — CID 107733485

IUPAC1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H16N2O3S/c1-16(13-6-3-7-14(17)9-13)20(18,19)10-11-4-2-5-12(15)8-11/h2-9,17H,10,15H2,1H3
InChIKeyPVLCNEINFWAJOK-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.94
Rot. Bonds4

About 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide

1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide (PubChem CID 107733485) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide
PubChem CID107733485
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H16N2O3S/c1-16(13-6-3-7-14(17)9-13)20(18,19)10-11-4-2-5-12(15)8-11/h2-9,17H,10,15H2,1H3
InChIKeyPVLCNEINFWAJOK-UHFFFAOYSA-N
XLogP1.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide 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

1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
CID 43256541
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
1-(3-aminophenyl)-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274176
methyl 2-[(3-aminophenyl)-methylsulfamoyl]acetate
CID 54951895
5-amino-N-(3-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 107733505
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide
CID 61116214
1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
CID 61125836
1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43527299
1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82741380

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide (CID 107733485) is 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide is CN(c1cccc(O)c1)S(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide?
The InChIKey is PVLCNEINFWAJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16(13-6-3-7-14(17)9-13)20(18,19)10-11-4-2-5-12(15)8-11/h2-9,17H,10,15H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide?
1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 107733485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).