N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide

C14H21NO3S — CID 2992053

IUPACN-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCC2)cc1C
InChIInChI=1S/C14H21NO3S/c1-3-18-14-9-8-13(10-11(14)2)19(16,17)15-12-6-4-5-7-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyDAELTGQQZGYYBI-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.61
Rot. Bonds5

About N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide

N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide (PubChem CID 2992053) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide
PubChem CID2992053
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCC2)cc1C
InChIInChI=1S/C14H21NO3S/c1-3-18-14-9-8-13(10-11(14)2)19(16,17)15-12-6-4-5-7-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyDAELTGQQZGYYBI-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide (CID 2992053) is N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCCC2)cc1C.
What is the InChIKey of N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide?
The InChIKey is DAELTGQQZGYYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-18-14-9-8-13(10-11(14)2)19(16,17)15-12-6-4-5-7-12/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide?
N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 2992053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).