N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide

C14H18N2O3S — CID 106844087

IUPACN-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCCCCO)cccc2c1
InChIInChI=1S/C14H18N2O3S/c1-11-9-12-5-4-6-13(14(12)15-10-11)20(18,19)16-7-2-3-8-17/h4-6,9-10,16-17H,2-3,7-8H2,1H3
InChIKeySDYHMSXOZREISU-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.59
Rot. Bonds6

About N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide

N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide (PubChem CID 106844087) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
PubChem CID106844087
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCCCCO)cccc2c1
InChIInChI=1S/C14H18N2O3S/c1-11-9-12-5-4-6-13(14(12)15-10-11)20(18,19)16-7-2-3-8-17/h4-6,9-10,16-17H,2-3,7-8H2,1H3
InChIKeySDYHMSXOZREISU-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide (CID 106844087) is N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCCCCO)cccc2c1.
What is the InChIKey of N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is SDYHMSXOZREISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-9-12-5-4-6-13(14(12)15-10-11)20(18,19)16-7-2-3-8-17/h4-6,9-10,16-17H,2-3,7-8H2,1H3.
What are the key properties of N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide?
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 106844087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).