1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide

C13H14N4O3S — CID 71806995

IUPAC1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCC3)cn1
InChIInChI=1S/C13H14N4O3S/c1-17-8-11(7-15-17)21(19,20)16-10-3-2-9-4-5-14-13(18)12(9)6-10/h2-3,6-8,16H,4-5H2,1H3,(H,14,18)
InChIKeyIALSAAHOQKSWQC-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.51
Rot. Bonds3

About 1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide

1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide (PubChem CID 71806995) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide
PubChem CID71806995
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCC3)cn1
InChIInChI=1S/C13H14N4O3S/c1-17-8-11(7-15-17)21(19,20)16-10-3-2-9-4-5-14-13(18)12(9)6-10/h2-3,6-8,16H,4-5H2,1H3,(H,14,18)
InChIKeyIALSAAHOQKSWQC-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 148291912
N-(1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-yl)-4-fluorobenzamide
CID 71567009
N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide
CID 71567143
2-(4-(1-methyl-1H-pyrazole-4-sulfonamido)phenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71806901
3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide
CID 94146587
4-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide
CID 155543634
1-methyl-N-(2-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 71806667
methyl 7-(1-methyl-1H-pyrazole-4-sulfonamido)-3,4-dihydroisoquinoline-2(1H)-carboxylate
CID 71807103
3-[(1-methylpyrazol-4-yl)methyl]-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one
CID 53600911
1-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-sulfonamide
CID 71890352
5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 46182413
5-[benzyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 46182462

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide (CID 71806995) is 1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCC3)cn1.
What is the InChIKey of 1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide?
The InChIKey is IALSAAHOQKSWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-17-8-11(7-15-17)21(19,20)16-10-3-2-9-4-5-14-13(18)12(9)6-10/h2-3,6-8,16H,4-5H2,1H3,(H,14,18).
What are the key properties of 1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide?
1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71806995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).