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

C17H18N2O5S — CID 3243018

IUPACN-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1
InChIInChI=1S/C17H18N2O5S/c1-23-12-4-6-15(16(10-12)24-2)19-25(21,22)13-5-7-14-11(9-13)3-8-17(20)18-14/h4-7,9-10,19H,3,8H2,1-2H3,(H,18,20)
InChIKeyCAVMFIKXGUNNPE-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.39
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 3243018) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID3243018
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1
InChIInChI=1S/C17H18N2O5S/c1-23-12-4-6-15(16(10-12)24-2)19-25(21,22)13-5-7-14-11(9-13)3-8-17(20)18-14/h4-7,9-10,19H,3,8H2,1-2H3,(H,18,20)
InChIKeyCAVMFIKXGUNNPE-UHFFFAOYSA-N
XLogP2.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 3243018) is N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is CAVMFIKXGUNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-12-4-6-15(16(10-12)24-2)19-25(21,22)13-5-7-14-11(9-13)3-8-17(20)18-14/h4-7,9-10,19H,3,8H2,1-2H3,(H,18,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 362.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 3243018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).