1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide

C8H12N6O4S2 — CID 62373970

IUPAC1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2nn(C)cc2S(N)(=O)=O)c1
InChIInChI=1S/C8H12N6O4S2/c1-13-4-7(10-5-13)20(17,18)12-8-6(19(9,15)16)3-14(2)11-8/h3-5H,1-2H3,(H,11,12)(H2,9,15,16)
InChIKeyVDMOXFYGFIYWRJ-UHFFFAOYSA-N
MW320.36 g/mol
LogP-1.40
Rot. Bonds4

About 1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide

1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide (PubChem CID 62373970) has the molecular formula C8H12N6O4S2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide
PubChem CID62373970
Molecular FormulaC8H12N6O4S2
Molecular Weight320.36 g/mol
Exact Mass320.04
IUPAC Name1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2nn(C)cc2S(N)(=O)=O)c1
InChIInChI=1S/C8H12N6O4S2/c1-13-4-7(10-5-13)20(17,18)12-8-6(19(9,15)16)3-14(2)11-8/h3-5H,1-2H3,(H,11,12)(H2,9,15,16)
InChIKeyVDMOXFYGFIYWRJ-UHFFFAOYSA-N
XLogP-1.40
TPSA141.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide (CID 62373970) is 1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2nn(C)cc2S(N)(=O)=O)c1.
What is the InChIKey of 1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide?
The InChIKey is VDMOXFYGFIYWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O4S2/c1-13-4-7(10-5-13)20(17,18)12-8-6(19(9,15)16)3-14(2)11-8/h3-5H,1-2H3,(H,11,12)(H2,9,15,16).
What are the key properties of 1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide?
1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide has a molecular weight of 320.36 g/mol, XLogP of -1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]pyrazole-4-sulfonamide is sourced from PubChem (CID 62373970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).