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

C15H14N2O3S — CID 107232055

IUPAC3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCc2ccc(CO)cc2)c1
InChIInChI=1S/C15H14N2O3S/c16-9-14-2-1-3-15(8-14)21(19,20)17-10-12-4-6-13(11-18)7-5-12/h1-8,17-18H,10-11H2
InChIKeyIANUOIWMYZHHTJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.53
Rot. Bonds5

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

3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 107232055) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID107232055
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCc2ccc(CO)cc2)c1
InChIInChI=1S/C15H14N2O3S/c16-9-14-2-1-3-15(8-14)21(19,20)17-10-12-4-6-13(11-18)7-5-12/h1-8,17-18H,10-11H2
InChIKeyIANUOIWMYZHHTJ-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

3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
CID 81258729
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311549
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
3-[3-(hydroxymethyl)phenyl]sulfonylbenzonitrile
CID 68571468
3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66007403
3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 28534651
3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232758
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (CID 107232055) is 3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCc2ccc(CO)cc2)c1.
What is the InChIKey of 3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is IANUOIWMYZHHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-9-14-2-1-3-15(8-14)21(19,20)17-10-12-4-6-13(11-18)7-5-12/h1-8,17-18H,10-11H2.
What are the key properties of 3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
3-cyano-N-[[4-(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 3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 107232055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).