5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide

C13H18BrNO3S — CID 4789633

IUPAC5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H18BrNO3S/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
InChIKeyHFARLORHKQCDQN-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.07
Rot. Bonds5

About 5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide

5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide (PubChem CID 4789633) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide
PubChem CID4789633
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H18BrNO3S/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
InChIKeyHFARLORHKQCDQN-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide (CID 4789633) is 5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide?
The InChIKey is HFARLORHKQCDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/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-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide?
5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide has a molecular weight of 348.26 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 4789633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).