N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide

C12H16N2O3S — CID 94695848

IUPACN-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(CO)CS(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C12H16N2O3S/c1-12(2,8-15)9-18(16,17)14-11-6-4-3-5-10(11)7-13/h3-6,14-15H,8-9H2,1-2H3
InChIKeyOOKBRXDXWXXWFU-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.32
Rot. Bonds5

About N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide

N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide (PubChem CID 94695848) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
PubChem CID94695848
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(CO)CS(=O)(=O)Nc1ccccc1C#N
InChIInChI=1S/C12H16N2O3S/c1-12(2,8-15)9-18(16,17)14-11-6-4-3-5-10(11)7-13/h3-6,14-15H,8-9H2,1-2H3
InChIKeyOOKBRXDXWXXWFU-UHFFFAOYSA-N
XLogP1.32
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94692974
3-[(2-cyanophenyl)sulfamoyl]-2-methylpropanoic acid
CID 82019591
N-(3-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94695849
N-(2-cyanophenyl)butane-1-sulfonamide
CID 5065530
2-(tert-butylsulfamoylamino)benzonitrile
CID 114807626
1-(2-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115360457
1-cyano-2-(diethylsulfamoylamino)benzene
CID 28785032
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
CID 55232619
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N-(2-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607000
N-[2-(aminomethyl)phenyl]methanesulfonamide;N-(2-cyanophenyl)methanesulfonamide
CID 69220738

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide (CID 94695848) is N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide is CC(C)(CO)CS(=O)(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is OOKBRXDXWXXWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-12(2,8-15)9-18(16,17)14-11-6-4-3-5-10(11)7-13/h3-6,14-15H,8-9H2,1-2H3.
What are the key properties of N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide?
N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 94695848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).