1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide

C9H12N4O2S — CID 63822247

IUPAC1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccn(C)c2)n[nH]1
InChIInChI=1S/C9H12N4O2S/c1-7-5-9(11-10-7)12-16(14,15)8-3-4-13(2)6-8/h3-6H,1-2H3,(H2,10,11,12)
InChIKeyVVWIOARQPJHVBO-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.86
Rot. Bonds3

About 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide

1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide (PubChem CID 63822247) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
PubChem CID63822247
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccn(C)c2)n[nH]1
InChIInChI=1S/C9H12N4O2S/c1-7-5-9(11-10-7)12-16(14,15)8-3-4-13(2)6-8/h3-6H,1-2H3,(H2,10,11,12)
InChIKeyVVWIOARQPJHVBO-UHFFFAOYSA-N
XLogP0.86
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 104620727
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259826
2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 63820783
N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide
CID 63823163
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 63822968
3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259444
2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823361
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168
1-methylpyrrole-3-sulfonohydrazide
CID 82280503
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
CID 112699826
N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide
CID 114049128

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide (CID 63822247) is 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide is Cc1cc(NS(=O)(=O)c2ccn(C)c2)n[nH]1.
What is the InChIKey of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide?
The InChIKey is VVWIOARQPJHVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-7-5-9(11-10-7)12-16(14,15)8-3-4-13(2)6-8/h3-6H,1-2H3,(H2,10,11,12).
What are the key properties of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide?
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide has a molecular weight of 240.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 63822247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).