1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide

C17H18N2O3S — CID 71911353

IUPAC1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c18-11-15-7-4-8-16(9-15)13-23(21,22)19-12-17(20)10-14-5-2-1-3-6-14/h1-9,17,19-20H,10,12-13H2
InChIKeyGDCWPBOSGNYJHY-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.58
Rot. Bonds7

About 1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide

1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide (PubChem CID 71911353) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
PubChem CID71911353
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c18-11-15-7-4-8-16(9-15)13-23(21,22)19-12-17(20)10-14-5-2-1-3-6-14/h1-9,17,19-20H,10,12-13H2
InChIKeyGDCWPBOSGNYJHY-UHFFFAOYSA-N
XLogP1.58
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide (CID 71911353) is 1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide is N#Cc1cccc(CS(=O)(=O)NCC(O)Cc2ccccc2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
The InChIKey is GDCWPBOSGNYJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c18-11-15-7-4-8-16(9-15)13-23(21,22)19-12-17(20)10-14-5-2-1-3-6-14/h1-9,17,19-20H,10,12-13H2.
What are the key properties of 1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 71911353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).