1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide

C17H18N2O3S — CID 71911313

IUPAC1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccccc1C(O)CNS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C17H18N2O3S/c1-13-5-2-3-8-16(13)17(20)11-19-23(21,22)12-15-7-4-6-14(9-15)10-18/h2-9,17,19-20H,11-12H2,1H3
InChIKeyKGBYHFCHCFQLLF-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.02
Rot. Bonds6

About 1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide

1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide (PubChem CID 71911313) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide
PubChem CID71911313
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccccc1C(O)CNS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C17H18N2O3S/c1-13-5-2-3-8-16(13)17(20)11-19-23(21,22)12-15-7-4-6-14(9-15)10-18/h2-9,17,19-20H,11-12H2,1H3
InChIKeyKGBYHFCHCFQLLF-UHFFFAOYSA-N
XLogP2.02
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
CID 71451220
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecane-1-sulfonamide
CID 71458408
N-[2-hydroxy-2-(4-methylphenyl)ethyl]dodecane-1-sulfonamide
CID 71460250
N-(2-hydroxy-3-phenylpropyl)-1-(m-tolyl)methanesulfonamide
CID 56765290
1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide
CID 71911243
1-(3-cyanophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 71911353
N-(2-hydroxy-2-phenylpropyl)-1-(m-tolyl)methanesulfonamide
CID 56765378
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]but-3-ene-1-sulfonamide
CID 97239390
N-[2-[4-[4-(cyanomethyl)-3-fluorophenyl]phenyl]-2-hydroxypropyl]propane-2-sulfonamide
CID 22176588
N-[2-[2-[4-(cyanomethyl)-3-fluorophenyl]phenyl]-2-hydroxypropyl]propane-2-sulfonamide
CID 54302738
N-[2-[4-[4-(cyanomethyl)-5-fluorocyclohexa-1,3-dien-1-yl]phenyl]-2-hydroxypropyl]propane-2-sulfonamide
CID 163871806
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide
CID 154713151

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide (CID 71911313) is 1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide is Cc1ccccc1C(O)CNS(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is KGBYHFCHCFQLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13-5-2-3-8-16(13)17(20)11-19-23(21,22)12-15-7-4-6-14(9-15)10-18/h2-9,17,19-20H,11-12H2,1H3.
What are the key properties of 1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.02, 6 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-2-(2-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 71911313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).