N-cyclopentyl-4-methylbenzenesulfonamide

C12H17NO2S — CID 668752

IUPACN-cyclopentyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C12H17NO2S/c1-10-6-8-12(9-7-10)16(14,15)13-11-4-2-3-5-11/h6-9,11,13H,2-5H2,1H3
InChIKeyGXUUMIXUNMJARY-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.22
Rot. Bonds3

About N-cyclopentyl-4-methylbenzenesulfonamide

N-cyclopentyl-4-methylbenzenesulfonamide (PubChem CID 668752) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclopentyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methylbenzenesulfonamide
PubChem CID668752
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-cyclopentyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C12H17NO2S/c1-10-6-8-12(9-7-10)16(14,15)13-11-4-2-3-5-11/h6-9,11,13H,2-5H2,1H3
InChIKeyGXUUMIXUNMJARY-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-methylbenzenesulfonamide (CID 668752) is N-cyclopentyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-methylbenzenesulfonamide?
The InChIKey is GXUUMIXUNMJARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-6-8-12(9-7-10)16(14,15)13-11-4-2-3-5-11/h6-9,11,13H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-4-methylbenzenesulfonamide?
N-cyclopentyl-4-methylbenzenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 668752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).