3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

C16H12Cl2N2O3S — CID 118932971

IUPAC3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C16H12Cl2N2O3S/c1-20-15-6-3-11(8-10(15)2-7-16(20)21)19-24(22,23)12-4-5-13(17)14(18)9-12/h2-9,19H,1H3
InChIKeyGPMNHYJTFYQIDD-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.65
Rot. Bonds3

About 3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118932971) has the molecular formula C16H12Cl2N2O3S and a molecular weight of 383.26 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118932971
Molecular FormulaC16H12Cl2N2O3S
Molecular Weight383.26 g/mol
Exact Mass381.99
IUPAC Name3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C16H12Cl2N2O3S/c1-20-15-6-3-11(8-10(15)2-7-16(20)21)19-24(22,23)12-4-5-13(17)14(18)9-12/h2-9,19H,1H3
InChIKeyGPMNHYJTFYQIDD-UHFFFAOYSA-N
XLogP3.65
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118932971) is 3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc21.
What is the InChIKey of 3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is GPMNHYJTFYQIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3S/c1-20-15-6-3-11(8-10(15)2-7-16(20)21)19-24(22,23)12-4-5-13(17)14(18)9-12/h2-9,19H,1H3.
What are the key properties of 3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 383.26 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118932971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).