5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide

C13H18ClNO3S — CID 2988240

IUPAC5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H18ClNO3S/c1-2-18-12-8-7-10(14)9-13(12)19(16,17)15-11-5-3-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKeyAVDGXZLXPRQBPA-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.96
Rot. Bonds5

About 5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide

5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide (PubChem CID 2988240) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide
PubChem CID2988240
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H18ClNO3S/c1-2-18-12-8-7-10(14)9-13(12)19(16,17)15-11-5-3-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKeyAVDGXZLXPRQBPA-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 5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide (CID 2988240) is 5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide is CCOc1ccc(Cl)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide?
The InChIKey is AVDGXZLXPRQBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-2-18-12-8-7-10(14)9-13(12)19(16,17)15-11-5-3-4-6-11/h7-9,11,15H,2-6H2,1H3.
What are the key properties of 5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide?
5-chloro-N-cyclopentyl-2-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 5-chloro-N-cyclopentyl-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 2988240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).