4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide

C13H18N2O2S — CID 47392283

IUPAC4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C13H18N2O2S/c1-4-13(10(2)3)15-18(16,17)12-7-5-11(9-14)6-8-12/h5-8,10,13,15H,4H2,1-3H3
InChIKeyBZAIRZOTYXMTGU-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.27
Rot. Bonds5

About 4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide

4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide (PubChem CID 47392283) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
PubChem CID47392283
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C13H18N2O2S/c1-4-13(10(2)3)15-18(16,17)12-7-5-11(9-14)6-8-12/h5-8,10,13,15H,4H2,1-3H3
InChIKeyBZAIRZOTYXMTGU-UHFFFAOYSA-N
XLogP2.27
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61470642
4-cyano-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]benzenesulfonamide
CID 97239362
4-cyano-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662739
4-cyano-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113239018
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 26540985
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8000367
[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8000368
4-[3-(methylamino)propyl]-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018766
2-[(4-cyanophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468041
4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125319
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270415

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide (CID 47392283) is 4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(C#N)cc1)C(C)C.
What is the InChIKey of 4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is BZAIRZOTYXMTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-4-13(10(2)3)15-18(16,17)12-7-5-11(9-14)6-8-12/h5-8,10,13,15H,4H2,1-3H3.
What are the key properties of 4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide?
4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 47392283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).