1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide

C10H13N3O2S2 — CID 71806710

IUPAC1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2ccsc2)cn1
InChIInChI=1S/C10H13N3O2S2/c1-13-7-10(6-11-13)17(14,15)12-4-2-9-3-5-16-8-9/h3,5-8,12H,2,4H2,1H3
InChIKeyXYPZAQFMYNAVOX-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.00
Rot. Bonds5

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

1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide (PubChem CID 71806710) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide
PubChem CID71806710
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2ccsc2)cn1
InChIInChI=1S/C10H13N3O2S2/c1-13-7-10(6-11-13)17(14,15)12-4-2-9-3-5-16-8-9/h3,5-8,12H,2,4H2,1H3
InChIKeyXYPZAQFMYNAVOX-UHFFFAOYSA-N
XLogP1.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 71806694
1-methyl-N-[2-(1-thiophen-2-ylethylsulfanyl)ethyl]pyrazole-4-sulfonamide
CID 71995583
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 75387197
1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 6468307
1,3-dimethyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 19682470
1-methyl-N-{[1-(thiophen-2-yl)cyclopentyl]methyl}-1H-pyrazole-4-sulfonamide
CID 71806722
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-4-(thiophen-2-yl)piperidine
CID 71807066
N-cyclopropyl-1-methyl-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 72717928
5-((1-ethyl-1H-pyrazol-4-yl)sulfonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride
CID 91623589
4-[5-(ethylsulfonyl)-2-thienyl]-1-methyl-1H-pyrazole
CID 39736171
1-methyl-N-propyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 72717936
N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
CID 84588852

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide (CID 71806710) is 1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCc2ccsc2)cn1.
What is the InChIKey of 1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is XYPZAQFMYNAVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-13-7-10(6-11-13)17(14,15)12-4-2-9-3-5-16-8-9/h3,5-8,12H,2,4H2,1H3.
What are the key properties of 1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide?
1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71806710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).