N-cyclopentyl-4-ethoxybenzenesulfonamide

C13H19NO3S — CID 893506

IUPACN-cyclopentyl-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-4-6-11/h7-11,14H,2-6H2,1H3
InChIKeyAWXGYKGCNLLRJV-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.31
Rot. Bonds5

About N-cyclopentyl-4-ethoxybenzenesulfonamide

N-cyclopentyl-4-ethoxybenzenesulfonamide (PubChem CID 893506) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclopentyl-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-ethoxybenzenesulfonamide
PubChem CID893506
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-cyclopentyl-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-4-6-11/h7-11,14H,2-6H2,1H3
InChIKeyAWXGYKGCNLLRJV-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-ethoxybenzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-ethoxybenzenesulfonamide (CID 893506) is N-cyclopentyl-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-ethoxybenzenesulfonamide?
The InChIKey is AWXGYKGCNLLRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-4-6-11/h7-11,14H,2-6H2,1H3.
What are the key properties of N-cyclopentyl-4-ethoxybenzenesulfonamide?
N-cyclopentyl-4-ethoxybenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 893506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).