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

C17H19ClN2O3S2 — CID 16927563

IUPAC5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide
SMILESCC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc21
InChIInChI=1S/C17H19ClN2O3S2/c1-11(2)10-20-14-5-4-13(9-12(14)3-7-16(20)21)19-25(22,23)17-8-6-15(18)24-17/h4-6,8-9,11,19H,3,7,10H2,1-2H3
InChIKeyXYQKDXFYYUTPLY-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.14
Rot. Bonds5

About 5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide

5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide (PubChem CID 16927563) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide
PubChem CID16927563
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide
SMILESCC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc21
InChIInChI=1S/C17H19ClN2O3S2/c1-11(2)10-20-14-5-4-13(9-12(14)3-7-16(20)21)19-25(22,23)17-8-6-15(18)24-17/h4-6,8-9,11,19H,3,7,10H2,1-2H3
InChIKeyXYQKDXFYYUTPLY-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide
CID 16927646
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-chlorothiophene-2-sulfonamide
CID 16927394
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-methylthiophene-2-sulfonamide
CID 40889525
3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927553
5-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]thiophene-2-sulfonamide
CID 40958503
2,4,5-trimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927637
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]propane-2-sulfonamide
CID 16927653
2-methoxy-4,5-dimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927648
3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide
CID 16927141
6-chloro-3-[(1S)-1-[[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]amino]ethyl]-1H-quinolin-2-one
CID 122637516

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide (CID 16927563) is 5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide is CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc21.
What is the InChIKey of 5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide?
The InChIKey is XYQKDXFYYUTPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-11(2)10-20-14-5-4-13(9-12(14)3-7-16(20)21)19-25(22,23)17-8-6-15(18)24-17/h4-6,8-9,11,19H,3,7,10H2,1-2H3.
What are the key properties of 5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide has a molecular weight of 398.94 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 16927563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).