5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

C13H13N3O2S3 — CID 20947475

IUPAC5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)n[nH]1
InChIInChI=1S/C13H13N3O2S3/c1-9-7-11(16-15-9)12-4-5-13(20-12)21(17,18)14-8-10-3-2-6-19-10/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyDDXPTOBACHGTKR-UHFFFAOYSA-N
MW339.47 g/mol
LogP2.99
Rot. Bonds5

About 5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 20947475) has the molecular formula C13H13N3O2S3 and a molecular weight of 339.47 g/mol. Its IUPAC name is 5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID20947475
Molecular FormulaC13H13N3O2S3
Molecular Weight339.47 g/mol
Exact Mass339.02
IUPAC Name5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)n[nH]1
InChIInChI=1S/C13H13N3O2S3/c1-9-7-11(16-15-9)12-4-5-13(20-12)21(17,18)14-8-10-3-2-6-19-10/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyDDXPTOBACHGTKR-UHFFFAOYSA-N
XLogP2.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 20947475) is 5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)n[nH]1.
What is the InChIKey of 5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is DDXPTOBACHGTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S3/c1-9-7-11(16-15-9)12-4-5-13(20-12)21(17,18)14-8-10-3-2-6-19-10/h2-7,14H,8H2,1H3,(H,15,16).
What are the key properties of 5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).