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

C15H23NO4S — CID 103836399

IUPAC4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H23NO4S/c1-3-4-13(9-10-17)11-16-21(19,20)15-7-5-14(6-8-15)12(2)18/h5-8,13,16-17H,3-4,9-11H2,1-2H3
InChIKeyJHWZDJXANPFTSP-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.97
Rot. Bonds9

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

4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (PubChem CID 103836399) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
PubChem CID103836399
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H23NO4S/c1-3-4-13(9-10-17)11-16-21(19,20)15-7-5-14(6-8-15)12(2)18/h5-8,13,16-17H,3-4,9-11H2,1-2H3
InChIKeyJHWZDJXANPFTSP-UHFFFAOYSA-N
XLogP1.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836328
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836329
4-acetyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63959176
N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
CID 103722829
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
CID 106113471
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (CID 103836399) is 4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is CCCC(CCO)CNS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The InChIKey is JHWZDJXANPFTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-4-13(9-10-17)11-16-21(19,20)15-7-5-14(6-8-15)12(2)18/h5-8,13,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of 4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is sourced from PubChem (CID 103836399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).