N-(3-hydroxypentyl)quinoline-3-sulfonamide

C14H18N2O3S — CID 86808045

IUPACN-(3-hydroxypentyl)quinoline-3-sulfonamide
SMILESCCC(O)CCNS(=O)(=O)c1cnc2ccccc2c1
InChIInChI=1S/C14H18N2O3S/c1-2-12(17)7-8-16-20(18,19)13-9-11-5-3-4-6-14(11)15-10-13/h3-6,9-10,12,16-17H,2,7-8H2,1H3
InChIKeyABXJQGDJDDOTJL-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.67
Rot. Bonds6

About N-(3-hydroxypentyl)quinoline-3-sulfonamide

N-(3-hydroxypentyl)quinoline-3-sulfonamide (PubChem CID 86808045) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(3-hydroxypentyl)quinoline-3-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)quinoline-3-sulfonamide
PubChem CID86808045
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(3-hydroxypentyl)quinoline-3-sulfonamide
SMILESCCC(O)CCNS(=O)(=O)c1cnc2ccccc2c1
InChIInChI=1S/C14H18N2O3S/c1-2-12(17)7-8-16-20(18,19)13-9-11-5-3-4-6-14(11)15-10-13/h3-6,9-10,12,16-17H,2,7-8H2,1H3
InChIKeyABXJQGDJDDOTJL-UHFFFAOYSA-N
XLogP1.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)quinoline-3-sulfonamide?
The IUPAC name of N-(3-hydroxypentyl)quinoline-3-sulfonamide (CID 86808045) is N-(3-hydroxypentyl)quinoline-3-sulfonamide.
What is the SMILES notation for N-(3-hydroxypentyl)quinoline-3-sulfonamide?
The canonical SMILES for N-(3-hydroxypentyl)quinoline-3-sulfonamide is CCC(O)CCNS(=O)(=O)c1cnc2ccccc2c1.
What is the InChIKey of N-(3-hydroxypentyl)quinoline-3-sulfonamide?
The InChIKey is ABXJQGDJDDOTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-12(17)7-8-16-20(18,19)13-9-11-5-3-4-6-14(11)15-10-13/h3-6,9-10,12,16-17H,2,7-8H2,1H3.
What are the key properties of N-(3-hydroxypentyl)quinoline-3-sulfonamide?
N-(3-hydroxypentyl)quinoline-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)quinoline-3-sulfonamide is sourced from PubChem (CID 86808045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).