4-ethoxy-N-pentan-2-ylbenzenesulfonamide

C13H21NO3S — CID 2957183

IUPAC4-ethoxy-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C13H21NO3S/c1-4-6-11(3)14-18(15,16)13-9-7-12(8-10-13)17-5-2/h7-11,14H,4-6H2,1-3H3
InChIKeyHJZSYFMTVKGISQ-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.55
Rot. Bonds7

About 4-ethoxy-N-pentan-2-ylbenzenesulfonamide

4-ethoxy-N-pentan-2-ylbenzenesulfonamide (PubChem CID 2957183) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-ethoxy-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-pentan-2-ylbenzenesulfonamide
PubChem CID2957183
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-ethoxy-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C13H21NO3S/c1-4-6-11(3)14-18(15,16)13-9-7-12(8-10-13)17-5-2/h7-11,14H,4-6H2,1-3H3
InChIKeyHJZSYFMTVKGISQ-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 93252502
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]-3-phenylpropanamide
CID 30144497
4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 43506825
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
2-[(4-ethoxyphenyl)sulfonylamino]-5-methylhexanoic acid
CID 18801854
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-pentan-2-ylbenzenesulfonamide (CID 2957183) is 4-ethoxy-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is HJZSYFMTVKGISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-6-11(3)14-18(15,16)13-9-7-12(8-10-13)17-5-2/h7-11,14H,4-6H2,1-3H3.
What are the key properties of 4-ethoxy-N-pentan-2-ylbenzenesulfonamide?
4-ethoxy-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2957183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).