4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide

C16H22N2O2S — CID 61449550

IUPAC4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H22N2O2S/c1-3-13-4-8-15(9-5-13)18(2)21(19,20)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,3-5,8-9H2,1-2H3
InChIKeyKCQZPZZGYOBLMU-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.15
Rot. Bonds4

About 4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide

4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide (PubChem CID 61449550) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
PubChem CID61449550
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H22N2O2S/c1-3-13-4-8-15(9-5-13)18(2)21(19,20)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,3-5,8-9H2,1-2H3
InChIKeyKCQZPZZGYOBLMU-UHFFFAOYSA-N
XLogP3.15
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650712
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528
3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide
CID 61125446
2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide
CID 62153482
4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115672016
4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79702963
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829061
N-(4-aminocyclohexyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 79113445
4-cyano-N-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 75477699
5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
CID 106267859

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide (CID 61449550) is 4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide is CCC1CCC(N(C)S(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The InChIKey is KCQZPZZGYOBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-13-4-8-15(9-5-13)18(2)21(19,20)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,3-5,8-9H2,1-2H3.
What are the key properties of 4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61449550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).