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

C17H18N2O3S — CID 71911243

IUPAC1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCCC(O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c18-12-14-5-4-6-15(11-14)13-23(21,22)19-10-9-17(20)16-7-2-1-3-8-16/h1-8,11,17,19-20H,9-10,13H2
InChIKeyLXMCCUHVZCWVRE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.10
Rot. Bonds7

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

1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide (PubChem CID 71911243) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide
PubChem CID71911243
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCCC(O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c18-12-14-5-4-6-15(11-14)13-23(21,22)19-10-9-17(20)16-7-2-1-3-8-16/h1-8,11,17,19-20H,9-10,13H2
InChIKeyLXMCCUHVZCWVRE-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-N-(4-(hydroxy(phenyl)methyl)phenethyl)-4-cyanobenzenesulfonamide
CID 44586247
N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
CID 71451220
N-(2-hydroxy-3-phenylpropyl)-1-(m-tolyl)methanesulfonamide
CID 56765290
1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide
CID 71911313
1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 71911353
N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide
CID 56765289
N-(2-hydroxy-2-phenylpropyl)-1-(m-tolyl)methanesulfonamide
CID 56765378
N-(3-hydroxy-3-(naphthalen-1-yl)propyl)-1-phenylmethanesulfonamide
CID 71787945
(S)-3-(phenethylsulfonylamino)-1-phenyl-1-propanol
CID 97038595
(2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide
CID 135065533
N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide
CID 154720446
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
CID 43502423

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide (CID 71911243) is 1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide is N#Cc1cccc(CS(=O)(=O)NCCC(O)c2ccccc2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide?
The InChIKey is LXMCCUHVZCWVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c18-12-14-5-4-6-15(11-14)13-23(21,22)19-10-9-17(20)16-7-2-1-3-8-16/h1-8,11,17,19-20H,9-10,13H2.
What are the key properties of 1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide?
1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.10, 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-(3-hydroxy-3-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 71911243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).