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

C17H18N2O3S — CID 4547230

IUPACN-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C
InChIInChI=1S/C17H18N2O3S/c1-11-3-5-14(9-12(11)2)19-23(21,22)15-6-7-16-13(10-15)4-8-17(20)18-16/h3,5-7,9-10,19H,4,8H2,1-2H3,(H,18,20)
InChIKeySNFROMRRGGKYTF-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.99
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 4547230) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID4547230
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C
InChIInChI=1S/C17H18N2O3S/c1-11-3-5-14(9-12(11)2)19-23(21,22)15-6-7-16-13(10-15)4-8-17(20)18-16/h3,5-7,9-10,19H,4,8H2,1-2H3,(H,18,20)
InChIKeySNFROMRRGGKYTF-UHFFFAOYSA-N
XLogP2.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 4547230) is N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is SNFROMRRGGKYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-3-5-14(9-12(11)2)19-23(21,22)15-6-7-16-13(10-15)4-8-17(20)18-16/h3,5-7,9-10,19H,4,8H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 4547230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).