3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide

C14H21NO4S — CID 115703740

IUPAC3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
SMILESCCC(O)CCNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-2-12(16)8-10-15-14(17)9-11-20(18,19)13-6-4-3-5-7-13/h3-7,12,16H,2,8-11H2,1H3,(H,15,17)
InChIKeyIPGVXCZPGJRNIT-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.13
Rot. Bonds8

About 3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide

3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide (PubChem CID 115703740) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
PubChem CID115703740
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
SMILESCCC(O)CCNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-2-12(16)8-10-15-14(17)9-11-20(18,19)13-6-4-3-5-7-13/h3-7,12,16H,2,8-11H2,1H3,(H,15,17)
InChIKeyIPGVXCZPGJRNIT-UHFFFAOYSA-N
XLogP1.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzenesulfonyl)hexan-3-ol
CID 106808103
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
CID 90524456
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049
3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
CID 90483046
3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide
CID 90500079
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
CID 9295458
3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415591
3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415612
(2R)-2-[3-(benzenesulfonyl)propanoylamino]-3-methylbutanoic acid
CID 79009473
3-(benzenesulfonyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781987

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide (CID 115703740) is 3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide is CCC(O)CCNC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide?
The InChIKey is IPGVXCZPGJRNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-2-12(16)8-10-15-14(17)9-11-20(18,19)13-6-4-3-5-7-13/h3-7,12,16H,2,8-11H2,1H3,(H,15,17).
What are the key properties of 3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide?
3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide has a molecular weight of 299.39 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide is sourced from PubChem (CID 115703740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).