N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide

C14H20N2O3S — CID 103521156

IUPACN-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)7-8-20(17,18)16-12-6-5-11(10-15)9-13(12)19-4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyDLMAKMQWSPUBBG-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.74
Rot. Bonds5

About N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide

N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521156) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521156
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)7-8-20(17,18)16-12-6-5-11(10-15)9-13(12)19-4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyDLMAKMQWSPUBBG-UHFFFAOYSA-N
XLogP2.74
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727884
2-(4-cyano-2-methoxyanilino)ethanesulfonamide
CID 114385179
N-(2-amino-4,5-dimethoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520845
3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815180
N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
CID 104848764
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 104847953
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide (CID 103521156) is N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide is COc1cc(C#N)ccc1NS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is DLMAKMQWSPUBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(2,3)7-8-20(17,18)16-12-6-5-11(10-15)9-13(12)19-4/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide?
N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 2.74, 5 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)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).