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

C8H10N4O4S3 — CID 61132466

IUPAC1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide
SMILESCn1cc(S(N)(=O)=O)c(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C8H10N4O4S3/c1-12-5-6(18(9,13)14)8(10-12)11-19(15,16)7-3-2-4-17-7/h2-5H,1H3,(H,10,11)(H2,9,13,14)
InChIKeyZPTRTQXZPYBMNK-UHFFFAOYSA-N
MW322.39 g/mol
LogP-0.07
Rot. Bonds4

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

1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide (PubChem CID 61132466) has the molecular formula C8H10N4O4S3 and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide
PubChem CID61132466
Molecular FormulaC8H10N4O4S3
Molecular Weight322.39 g/mol
Exact Mass321.99
IUPAC Name1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide
SMILESCn1cc(S(N)(=O)=O)c(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C8H10N4O4S3/c1-12-5-6(18(9,13)14)8(10-12)11-19(15,16)7-3-2-4-17-7/h2-5H,1H3,(H,10,11)(H2,9,13,14)
InChIKeyZPTRTQXZPYBMNK-UHFFFAOYSA-N
XLogP-0.07
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide (CID 61132466) is 1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide is Cn1cc(S(N)(=O)=O)c(NS(=O)(=O)c2cccs2)n1.
What is the InChIKey of 1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide?
The InChIKey is ZPTRTQXZPYBMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4S3/c1-12-5-6(18(9,13)14)8(10-12)11-19(15,16)7-3-2-4-17-7/h2-5H,1H3,(H,10,11)(H2,9,13,14).
What are the key properties of 1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide?
1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide is sourced from PubChem (CID 61132466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).