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

C15H13ClN2O3S — CID 3647906

IUPACN-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1
InChIInChI=1S/C15H13ClN2O3S/c16-11-2-1-3-12(9-11)18-22(20,21)13-5-6-14-10(8-13)4-7-15(19)17-14/h1-3,5-6,8-9,18H,4,7H2,(H,17,19)
InChIKeyKQHKZXBKJWOHHU-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.03
Rot. Bonds3

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

N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 3647906) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID3647906
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC NameN-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1
InChIInChI=1S/C15H13ClN2O3S/c16-11-2-1-3-12(9-11)18-22(20,21)13-5-6-14-10(8-13)4-7-15(19)17-14/h1-3,5-6,8-9,18H,4,7H2,(H,17,19)
InChIKeyKQHKZXBKJWOHHU-UHFFFAOYSA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 3647906) is N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1.
What is the InChIKey of N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is KQHKZXBKJWOHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-11-2-1-3-12(9-11)18-22(20,21)13-5-6-14-10(8-13)4-7-15(19)17-14/h1-3,5-6,8-9,18H,4,7H2,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 336.80 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 3647906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).