1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide

C13H14N4O3S — CID 71890352

IUPAC1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cn1
InChIInChI=1S/C13H14N4O3S/c1-17-8-11(7-14-17)21(19,20)16-10-3-4-12-9(6-10)2-5-13(18)15-12/h3-4,6-8,16H,2,5H2,1H3,(H,15,18)
InChIKeyUPHQOKZWEYXEQW-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.11
Rot. Bonds3

About 1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide

1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide (PubChem CID 71890352) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide
PubChem CID71890352
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cn1
InChIInChI=1S/C13H14N4O3S/c1-17-8-11(7-14-17)21(19,20)16-10-3-4-12-9(6-10)2-5-13(18)15-12/h3-4,6-8,16H,2,5H2,1H3,(H,15,18)
InChIKeyUPHQOKZWEYXEQW-UHFFFAOYSA-N
XLogP1.11
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 53596255
N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide
CID 71878691
2-oxo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7586484
N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide
CID 71567009
N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 53582110
2-(4-(1-methyl-1H-pyrazole-4-sulfonamido)phenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71806901
3,5-dimethyl-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1H-pyrazole-4-sulfonamide
CID 45577698
(3S)-N-(tert-butyl)-2-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 70781390
1-methyl-N-(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 71806995
N-(1-ethyl-2-oxoindolin-5-yl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 91624455
1-Ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one
CID 75506180
1-ethyl-6-[[(2S)-4-pyrazol-1-ylbutan-2-yl]amino]-3,4-dihydroquinolin-2-one
CID 97831696

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide (CID 71890352) is 1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cn1.
What is the InChIKey of 1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide?
The InChIKey is UPHQOKZWEYXEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-17-8-11(7-14-17)21(19,20)16-10-3-4-12-9(6-10)2-5-13(18)15-12/h3-4,6-8,16H,2,5H2,1H3,(H,15,18).
What are the key properties of 1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide?
1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71890352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).