4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

C15H14N2O3S — CID 63311549

IUPAC4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2cccc(CO)c2)cc1
InChIInChI=1S/C15H14N2O3S/c16-9-12-4-6-15(7-5-12)21(19,20)17-10-13-2-1-3-14(8-13)11-18/h1-8,17-18H,10-11H2
InChIKeyWLGIOYVJFIOTTQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.53
Rot. Bonds5

About 4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 63311549) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID63311549
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2cccc(CO)c2)cc1
InChIInChI=1S/C15H14N2O3S/c16-9-12-4-6-15(7-5-12)21(19,20)17-10-13-2-1-3-14(8-13)11-18/h1-8,17-18H,10-11H2
InChIKeyWLGIOYVJFIOTTQ-UHFFFAOYSA-N
XLogP1.53
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311681
3-amino-4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107212446
N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
CID 81258729
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 68826108
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
[4-[[(4-cyanophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191393
4-cyano-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 103723821

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (CID 63311549) is 4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCc2cccc(CO)c2)cc1.
What is the InChIKey of 4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is WLGIOYVJFIOTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-9-12-4-6-15(7-5-12)21(19,20)17-10-13-2-1-3-14(8-13)11-18/h1-8,17-18H,10-11H2.
What are the key properties of 4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 63311549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).