N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H18N2O3S — CID 6621438

IUPACN-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C17H18N2O3S/c1-2-12-4-3-5-14(10-12)19-23(21,22)15-7-8-16-13(11-15)6-9-17(20)18-16/h3-5,7-8,10-11,19H,2,6,9H2,1H3,(H,18,20)
InChIKeyAQZBGULXOJXSJO-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.93
Rot. Bonds4

About N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 6621438) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID6621438
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C17H18N2O3S/c1-2-12-4-3-5-14(10-12)19-23(21,22)15-7-8-16-13(11-15)6-9-17(20)18-16/h3-5,7-8,10-11,19H,2,6,9H2,1H3,(H,18,20)
InChIKeyAQZBGULXOJXSJO-UHFFFAOYSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 6621438) is N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is CCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is AQZBGULXOJXSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-12-4-3-5-14(10-12)19-23(21,22)15-7-8-16-13(11-15)6-9-17(20)18-16/h3-5,7-8,10-11,19H,2,6,9H2,1H3,(H,18,20).
What are the key properties of N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 6621438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).