1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide

C11H14N2O3S — CID 83029588

IUPAC1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C11H14N2O3S/c1-9(14)7-13-17(15,16)8-11-4-2-3-10(5-11)6-12/h2-5,9,13-14H,7-8H2,1H3/t9-/m1/s1
InChIKeyFKCONMQDGSPNKV-SECBINFHSA-N
MW254.31 g/mol
LogP0.36
Rot. Bonds5

About 1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide

1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide (PubChem CID 83029588) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
PubChem CID83029588
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C11H14N2O3S/c1-9(14)7-13-17(15,16)8-11-4-2-3-10(5-11)6-12/h2-5,9,13-14H,7-8H2,1H3/t9-/m1/s1
InChIKeyFKCONMQDGSPNKV-SECBINFHSA-N
XLogP0.36
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)-N-(2-hydroxy-3-methylbutyl)methanesulfonamide
CID 115755079
1-(3-cyanophenyl)-N-(2-methoxypropyl)methanesulfonamide
CID 102697469
1-(3-cyanophenyl)-N-[2-methyl-3-(methylamino)propyl]methanesulfonamide
CID 115302875
methyl 3-[(3-cyanophenyl)methylsulfonylamino]-2-hydroxypropanoate
CID 103878673
1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide
CID 55171408
N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43606425
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
1-(3-cyanophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)methanesulfonamide
CID 115754866
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
1-(3-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115363084
1-(3-cyanophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)methanesulfonamide
CID 103836250
3-[(3-hydroxy-2-methylpropyl)sulfonylmethyl]benzonitrile
CID 111469891

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide (CID 83029588) is 1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide is C[C@@H](O)CNS(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide?
The InChIKey is FKCONMQDGSPNKV-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-9(14)7-13-17(15,16)8-11-4-2-3-10(5-11)6-12/h2-5,9,13-14H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of 1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide?
1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide is sourced from PubChem (CID 83029588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).