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

C14H12N2O3S — CID 64794703

IUPAC4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(CO)cc2)cc1
InChIInChI=1S/C14H12N2O3S/c15-9-11-3-7-14(8-4-11)20(18,19)16-13-5-1-12(10-17)2-6-13/h1-8,16-17H,10H2
InChIKeyRGTQXYCAYZPQKF-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.85
Rot. Bonds4

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

4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 64794703) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID64794703
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(CO)cc2)cc1
InChIInChI=1S/C14H12N2O3S/c15-9-11-3-7-14(8-4-11)20(18,19)16-13-5-1-12(10-17)2-6-13/h1-8,16-17H,10H2
InChIKeyRGTQXYCAYZPQKF-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]acetamide
CID 39342828
2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide
CID 38943951
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426
4-[[4-(hydroxymethyl)phenyl]methylsulfonylmethyl]benzonitrile
CID 83519164
(4-cyanophenyl)methyl 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2368222
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3856559
N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3675528
N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629212
1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166182205

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide (CID 64794703) is 4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(CO)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is RGTQXYCAYZPQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c15-9-11-3-7-14(8-4-11)20(18,19)16-13-5-1-12(10-17)2-6-13/h1-8,16-17H,10H2.
What are the key properties of 4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 64794703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).