1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide

C13H16N2O3S — CID 55171408

IUPAC1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C13H16N2O3S/c14-7-10-2-1-3-11(6-10)9-19(17,18)15-8-13(16)12-4-5-12/h1-3,6,12-13,15-16H,4-5,8-9H2
InChIKeyHAIWQPXGFWFTSC-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.75
Rot. Bonds6

About 1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide

1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide (PubChem CID 55171408) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide
PubChem CID55171408
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C13H16N2O3S/c14-7-10-2-1-3-11(6-10)9-19(17,18)15-8-13(16)12-4-5-12/h1-3,6,12-13,15-16H,4-5,8-9H2
InChIKeyHAIWQPXGFWFTSC-UHFFFAOYSA-N
XLogP0.75
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
1-(3-cyanophenyl)-N-(2-hydroxy-3-methylbutyl)methanesulfonamide
CID 115755079
1-(3-cyanophenyl)-N-[2-methyl-3-(methylamino)propyl]methanesulfonamide
CID 115302875
methyl 3-[(3-cyanophenyl)methylsulfonylamino]-2-hydroxypropanoate
CID 103878673
3-[(2-cyclopropyl-2-hydroxyethyl)amino]benzonitrile
CID 102822318
1-(3-cyanophenyl)-N-(2-methoxypropyl)methanesulfonamide
CID 102697469
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43606425
1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 55168466
3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 103834663
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide (CID 55171408) is 1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide is N#Cc1cccc(CS(=O)(=O)NCC(O)C2CC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide?
The InChIKey is HAIWQPXGFWFTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-7-10-2-1-3-11(6-10)9-19(17,18)15-8-13(16)12-4-5-12/h1-3,6,12-13,15-16H,4-5,8-9H2.
What are the key properties of 1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide?
1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.75, 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-cyclopropyl-2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 55171408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).