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

C16H16N2O5S — CID 8518817

IUPACN-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1O
InChIInChI=1S/C16H16N2O5S/c1-23-15-6-3-11(9-14(15)19)18-24(21,22)12-4-5-13-10(8-12)2-7-16(20)17-13/h3-6,8-9,18-19H,2,7H2,1H3,(H,17,20)
InChIKeyNFKXVFUDTIDSEF-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.09
Rot. Bonds4

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

N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 8518817) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID8518817
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1O
InChIInChI=1S/C16H16N2O5S/c1-23-15-6-3-11(9-14(15)19)18-24(21,22)12-4-5-13-10(8-12)2-7-16(20)17-13/h3-6,8-9,18-19H,2,7H2,1H3,(H,17,20)
InChIKeyNFKXVFUDTIDSEF-UHFFFAOYSA-N
XLogP2.09
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 8518817) is N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is NFKXVFUDTIDSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-23-15-6-3-11(9-14(15)19)18-24(21,22)12-4-5-13-10(8-12)2-7-16(20)17-13/h3-6,8-9,18-19H,2,7H2,1H3,(H,17,20).
What are the key properties of N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 348.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 8518817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).