N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide

C14H12N2O3S — CID 81258729

IUPACN-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
SMILESN#Cc1cccc(CNS(=O)(=O)c2cccc(O)c2)c1
InChIInChI=1S/C14H12N2O3S/c15-9-11-3-1-4-12(7-11)10-16-20(18,19)14-6-2-5-13(17)8-14/h1-8,16-17H,10H2
InChIKeyABKADQKQZLIWQQ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.74
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide

N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide (PubChem CID 81258729) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
PubChem CID81258729
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
SMILESN#Cc1cccc(CNS(=O)(=O)c2cccc(O)c2)c1
InChIInChI=1S/C14H12N2O3S/c15-9-11-3-1-4-12(7-11)10-16-20(18,19)14-6-2-5-13(17)8-14/h1-8,16-17H,10H2
InChIKeyABKADQKQZLIWQQ-UHFFFAOYSA-N
XLogP1.74
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311549
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 28534651
3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665417
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
N-benzyl-3-(cyanomethyl)benzenesulfonamide
CID 91388949
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
2-[(3-cyanophenyl)methylsulfamoyl]propanoic acid
CID 54947596
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide (CID 81258729) is N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide is N#Cc1cccc(CNS(=O)(=O)c2cccc(O)c2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide?
The InChIKey is ABKADQKQZLIWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c15-9-11-3-1-4-12(7-11)10-16-20(18,19)14-6-2-5-13(17)8-14/h1-8,16-17H,10H2.
What are the key properties of N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide?
N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 81258729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).