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

C19H21ClN2O3S — CID 16927551

IUPAC4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
SMILESCC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H21ClN2O3S/c1-13(2)12-22-18-9-6-16(11-14(18)3-10-19(22)23)21-26(24,25)17-7-4-15(20)5-8-17/h4-9,11,13,21H,3,10,12H2,1-2H3
InChIKeyKKJPVLPPOPEJMO-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.08
Rot. Bonds5

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

4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide (PubChem CID 16927551) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
PubChem CID16927551
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
SMILESCC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C19H21ClN2O3S/c1-13(2)12-22-18-9-6-16(11-14(18)3-10-19(22)23)21-26(24,25)17-7-4-15(20)5-8-17/h4-9,11,13,21H,3,10,12H2,1-2H3
InChIKeyKKJPVLPPOPEJMO-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide
CID 16927563
3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927553
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
5-chloro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide
CID 16927646
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927461
3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 167951208
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 40889564
6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one
CID 122637516
N-[4-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)sulfamoyl]phenyl]butanamide
CID 20933594
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
CID 16927341

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide (CID 16927551) is 4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide is CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The InChIKey is KKJPVLPPOPEJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13(2)12-22-18-9-6-16(11-14(18)3-10-19(22)23)21-26(24,25)17-7-4-15(20)5-8-17/h4-9,11,13,21H,3,10,12H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide is sourced from PubChem (CID 16927551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).