4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

C15H25NO4S — CID 103836328

IUPAC4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C15H25NO4S/c1-3-5-13(10-11-17)12-16-21(18,19)15-8-6-14(7-9-15)20-4-2/h6-9,13,16-17H,3-5,10-12H2,1-2H3
InChIKeyDFFSVXLIKXOTBS-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.16
Rot. Bonds10

About 4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (PubChem CID 103836328) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
PubChem CID103836328
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C15H25NO4S/c1-3-5-13(10-11-17)12-16-21(18,19)15-8-6-14(7-9-15)20-4-2/h6-9,13,16-17H,3-5,10-12H2,1-2H3
InChIKeyDFFSVXLIKXOTBS-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836329
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide
CID 63298619
2-[[(4-ethoxyphenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65220960
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 93252502
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
CID 106113471
5-chloro-N-[2-(2-hydroxyethyl)pentyl]thiophene-2-sulfonamide
CID 103836355

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (CID 103836328) is 4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is CCCC(CCO)CNS(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The InChIKey is DFFSVXLIKXOTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-3-5-13(10-11-17)12-16-21(18,19)15-8-6-14(7-9-15)20-4-2/h6-9,13,16-17H,3-5,10-12H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is sourced from PubChem (CID 103836328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).