1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide

C14H12N2O3S — CID 29275128

IUPAC1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C14H12N2O3S/c15-9-11-5-7-12(8-6-11)10-20(18,19)16-13-3-1-2-4-14(13)17/h1-8,16-17H,10H2
InChIKeyAOCSFZRXPICXPQ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide

1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide (PubChem CID 29275128) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
PubChem CID29275128
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C14H12N2O3S/c15-9-11-5-7-12(8-6-11)10-20(18,19)16-13-3-1-2-4-14(13)17/h1-8,16-17H,10H2
InChIKeyAOCSFZRXPICXPQ-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 43384860
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 64788737
1-(4-cyanophenyl)-N-isoquinolin-4-ylmethanesulfonamide
CID 75445357
1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide
CID 75445257
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 43237000
1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide
CID 106189115
1-(4-cyanophenyl)-N-(1,3-dimethylpyrazol-4-yl)methanesulfonamide
CID 102805690
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 107600421

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide (CID 29275128) is 1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)Nc2ccccc2O)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide?
The InChIKey is AOCSFZRXPICXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c15-9-11-5-7-12(8-6-11)10-20(18,19)16-13-3-1-2-4-14(13)17/h1-8,16-17H,10H2.
What are the key properties of 1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 29275128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).