4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide

C15H20N2O2S — CID 106833286

IUPAC4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCCC2)ccc1C#N
InChIInChI=1S/C15H20N2O2S/c1-11-9-15(8-7-14(11)10-16)20(18,19)17-12(2)13-5-3-4-6-13/h7-9,12-13,17H,3-6H2,1-2H3
InChIKeyJBELTGSZJYOOTP-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.72
Rot. Bonds4

About 4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide

4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide (PubChem CID 106833286) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
PubChem CID106833286
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCCC2)ccc1C#N
InChIInChI=1S/C15H20N2O2S/c1-11-9-15(8-7-14(11)10-16)20(18,19)17-12(2)13-5-3-4-6-13/h7-9,12-13,17H,3-6H2,1-2H3
InChIKeyJBELTGSZJYOOTP-UHFFFAOYSA-N
XLogP2.72
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
4-cyano-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzenesulfonamide
CID 106833631
4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
ethyl 2-[(4-cyano-3-methylphenyl)sulfonylamino]propanoate
CID 106833128
4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
CID 106833491
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
3-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650641
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide (CID 106833286) is 4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)C2CCCC2)ccc1C#N.
What is the InChIKey of 4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide?
The InChIKey is JBELTGSZJYOOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-9-15(8-7-14(11)10-16)20(18,19)17-12(2)13-5-3-4-6-13/h7-9,12-13,17H,3-6H2,1-2H3.
What are the key properties of 4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide?
4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106833286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).