4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide

C13H18ClNO3S — CID 1256631

IUPAC4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-2-18-13-9-11(7-8-12(13)14)19(16,17)15-10-5-3-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyYSZOPTQDIXZKCY-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.96
Rot. Bonds5

About 4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide

4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide (PubChem CID 1256631) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide
PubChem CID1256631
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-2-18-13-9-11(7-8-12(13)14)19(16,17)15-10-5-3-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyYSZOPTQDIXZKCY-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide (CID 1256631) is 4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide is CCOc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide?
The InChIKey is YSZOPTQDIXZKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-2-18-13-9-11(7-8-12(13)14)19(16,17)15-10-5-3-4-6-10/h7-10,15H,2-6H2,1H3.
What are the key properties of 4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide?
4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide is sourced from PubChem (CID 1256631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).