3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide

C20H22ClFN2O3S — CID 16820986

IUPAC3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
SMILESCC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C20H22ClFN2O3S/c1-13(2)9-10-24-19-7-4-15(11-14(19)3-8-20(24)25)23-28(26,27)16-5-6-18(22)17(21)12-16/h4-7,11-13,23H,3,8-10H2,1-2H3
InChIKeyCHNCAFCNZOGZKM-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.61
Rot. Bonds6

About 3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide

3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide (PubChem CID 16820986) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
PubChem CID16820986
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC Name3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
SMILESCC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C20H22ClFN2O3S/c1-13(2)9-10-24-19-7-4-15(11-14(19)3-8-20(24)25)23-28(26,27)16-5-6-18(22)17(21)12-16/h4-7,11-13,23H,3,8-10H2,1-2H3
InChIKeyCHNCAFCNZOGZKM-UHFFFAOYSA-N
XLogP4.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
5-chloro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide
CID 16927646
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide
CID 16927653
2,4,5-trimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927637
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 167951208
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927648
2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927224
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenylethanesulfonamide
CID 16927652
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 16927509
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide (CID 16820986) is 3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide is CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The InChIKey is CHNCAFCNZOGZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-13(2)9-10-24-19-7-4-15(11-14(19)3-8-20(24)25)23-28(26,27)16-5-6-18(22)17(21)12-16/h4-7,11-13,23H,3,8-10H2,1-2H3.
What are the key properties of 3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide has a molecular weight of 424.93 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide is sourced from PubChem (CID 16820986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).