N-cyclopentyl-4-methylsulfanylbenzenesulfonamide

C12H17NO2S2 — CID 961786

IUPACN-cyclopentyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C12H17NO2S2/c1-16-11-6-8-12(9-7-11)17(14,15)13-10-4-2-3-5-10/h6-10,13H,2-5H2,1H3
InChIKeyYPRCDIAWQXUOFV-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.63
Rot. Bonds4

About N-cyclopentyl-4-methylsulfanylbenzenesulfonamide

N-cyclopentyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 961786) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-cyclopentyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methylsulfanylbenzenesulfonamide
PubChem CID961786
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC NameN-cyclopentyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C12H17NO2S2/c1-16-11-6-8-12(9-7-11)17(14,15)13-10-4-2-3-5-10/h6-10,13H,2-5H2,1H3
InChIKeyYPRCDIAWQXUOFV-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-methylsulfanylbenzenesulfonamide (CID 961786) is N-cyclopentyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is YPRCDIAWQXUOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-16-11-6-8-12(9-7-11)17(14,15)13-10-4-2-3-5-10/h6-10,13H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-4-methylsulfanylbenzenesulfonamide?
N-cyclopentyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 271.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 961786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).