3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide

C17H13N3O3S — CID 57068396

IUPAC3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide
SMILESCc1nn(-c2ccccc2)c2c1C(=O)c1c-2cccc1S(N)(=O)=O
InChIInChI=1S/C17H13N3O3S/c1-10-14-16(20(19-10)11-6-3-2-4-7-11)12-8-5-9-13(24(18,22)23)15(12)17(14)21/h2-9H,1H3,(H2,18,22,23)
InChIKeyVTKODEJTYQODLV-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.04
Rot. Bonds2

About 3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide

3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide (PubChem CID 57068396) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide
PubChem CID57068396
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide
SMILESCc1nn(-c2ccccc2)c2c1C(=O)c1c-2cccc1S(N)(=O)=O
InChIInChI=1S/C17H13N3O3S/c1-10-14-16(20(19-10)11-6-3-2-4-7-11)12-8-5-9-13(24(18,22)23)15(12)17(14)21/h2-9H,1H3,(H2,18,22,23)
InChIKeyVTKODEJTYQODLV-UHFFFAOYSA-N
XLogP2.04
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-3-methyl-1-phenylbenzo[g]indazole-4,5-dione
CID 167636243
2-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]benzenesulfonamide
CID 11612812
13-methyl-15-phenyl-11,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-8,9-dione
CID 155814510
2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide
CID 173207476
5-[2,6-di(propan-2-yl)phenyl]-3,4-dimethyl-1-phenylpyrazole
CID 153435552
7-anilino-5,8-dioxonaphthalene-1-sulfonamide
CID 71726834
8-hydroxy-4-methyl-2-phenylphthalazin-1-one
CID 5492996
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477
3-(2-methylpropoxy)-1-phenylbenzo[g]indazole-4,5-dione
CID 155354528
1-tert-butyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 86934783
3-ethoxy-1-phenylbenzo[f]indazole-4,9-dione
CID 163283714
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide?
The IUPAC name of 3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide (CID 57068396) is 3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide.
What is the SMILES notation for 3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide?
The canonical SMILES for 3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide is Cc1nn(-c2ccccc2)c2c1C(=O)c1c-2cccc1S(N)(=O)=O.
What is the InChIKey of 3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide?
The InChIKey is VTKODEJTYQODLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-10-14-16(20(19-10)11-6-3-2-4-7-11)12-8-5-9-13(24(18,22)23)15(12)17(14)21/h2-9H,1H3,(H2,18,22,23).
What are the key properties of 3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide?
3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-1-phenylindeno[2,1-d]pyrazole-5-sulfonamide is sourced from PubChem (CID 57068396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).