N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide

C13H18N2O3S — CID 104849226

IUPACN-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C13H18N2O3S/c1-13(2,3)9-19(16,17)15-11-6-5-10(8-14)7-12(11)18-4/h5-7,15H,9H2,1-4H3
InChIKeyMCVDXPVCESCSMD-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.35
Rot. Bonds4

About N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide

N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 104849226) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID104849226
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C13H18N2O3S/c1-13(2,3)9-19(16,17)15-11-6-5-10(8-14)7-12(11)18-4/h5-7,15H,9H2,1-4H3
InChIKeyMCVDXPVCESCSMD-UHFFFAOYSA-N
XLogP2.35
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521156
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
2-(4-cyano-2-methoxyanilino)ethanesulfonamide
CID 114385179
3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815180
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 104847953
4-(1-cyanoethylamino)-3-methoxybenzonitrile
CID 104848721
N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
CID 104848764
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide (CID 104849226) is N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide is COc1cc(C#N)ccc1NS(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is MCVDXPVCESCSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-13(2,3)9-19(16,17)15-11-6-5-10(8-14)7-12(11)18-4/h5-7,15H,9H2,1-4H3.
What are the key properties of N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide?
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 104849226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).