8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide

C12H13ClN2O3S — CID 19007114

IUPAC8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C12H13ClN2O3S/c1-8(16)7-15-19(17,18)11-5-4-10(13)12-9(11)3-2-6-14-12/h2-6,8,15-16H,7H2,1H3
InChIKeyLRFCXLGJBGGEHJ-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.55
Rot. Bonds4

About 8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide

8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide (PubChem CID 19007114) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide
PubChem CID19007114
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C12H13ClN2O3S/c1-8(16)7-15-19(17,18)11-5-4-10(13)12-9(11)3-2-6-14-12/h2-6,8,15-16H,7H2,1H3
InChIKeyLRFCXLGJBGGEHJ-UHFFFAOYSA-N
XLogP1.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide?
The IUPAC name of 8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide (CID 19007114) is 8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide?
The canonical SMILES for 8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide is CC(O)CNS(=O)(=O)c1ccc(Cl)c2ncccc12.
What is the InChIKey of 8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide?
The InChIKey is LRFCXLGJBGGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-8(16)7-15-19(17,18)11-5-4-10(13)12-9(11)3-2-6-14-12/h2-6,8,15-16H,7H2,1H3.
What are the key properties of 8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide?
8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-hydroxypropyl)quinoline-5-sulfonamide is sourced from PubChem (CID 19007114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).