1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide

C7H14N4O4S2 — CID 61132283

IUPAC1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1nn(C)cc1S(N)(=O)=O
InChIInChI=1S/C7H14N4O4S2/c1-5(2)17(14,15)10-7-6(16(8,12)13)4-11(3)9-7/h4-5H,1-3H3,(H,9,10)(H2,8,12,13)
InChIKeyLCGZFJLBEAKGTG-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.78
Rot. Bonds4

About 1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide

1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide (PubChem CID 61132283) has the molecular formula C7H14N4O4S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide
PubChem CID61132283
Molecular FormulaC7H14N4O4S2
Molecular Weight282.35 g/mol
Exact Mass282.05
IUPAC Name1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1nn(C)cc1S(N)(=O)=O
InChIInChI=1S/C7H14N4O4S2/c1-5(2)17(14,15)10-7-6(16(8,12)13)4-11(3)9-7/h4-5H,1-3H3,(H,9,10)(H2,8,12,13)
InChIKeyLCGZFJLBEAKGTG-UHFFFAOYSA-N
XLogP-0.78
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide
CID 61131751
N-(1-methyl-4-sulfamoylpyrazol-3-yl)morpholine-4-sulfonamide
CID 61131439
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide
CID 103415785
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide
CID 61131337
3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61131914
N-(1-methyl-4-sulfamoylpyrazol-3-yl)piperidine-1-carboxamide
CID 79155036
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038
1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132750
1,5-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-3-carboxamide
CID 114219136
1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132441
1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132638

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide (CID 61132283) is 1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide is CC(C)S(=O)(=O)Nc1nn(C)cc1S(N)(=O)=O.
What is the InChIKey of 1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide?
The InChIKey is LCGZFJLBEAKGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O4S2/c1-5(2)17(14,15)10-7-6(16(8,12)13)4-11(3)9-7/h4-5H,1-3H3,(H,9,10)(H2,8,12,13).
What are the key properties of 1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide?
1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide has a molecular weight of 282.35 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide is sourced from PubChem (CID 61132283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).