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

C13H17N3O2S2 — CID 72717928

IUPACN-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CCc2cccs2)C2CC2)cn1
InChIInChI=1S/C13H17N3O2S2/c1-15-10-13(9-14-15)20(17,18)16(11-4-5-11)7-6-12-3-2-8-19-12/h2-3,8-11H,4-7H2,1H3
InChIKeyUJHBJZYABMJOHH-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.88
Rot. Bonds6

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

N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (PubChem CID 72717928) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
PubChem CID72717928
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CCc2cccs2)C2CC2)cn1
InChIInChI=1S/C13H17N3O2S2/c1-15-10-13(9-14-15)20(17,18)16(11-4-5-11)7-6-12-3-2-8-19-12/h2-3,8-11H,4-7H2,1H3
InChIKeyUJHBJZYABMJOHH-UHFFFAOYSA-N
XLogP1.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (CID 72717928) is N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(CCc2cccs2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is UJHBJZYABMJOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-15-10-13(9-14-15)20(17,18)16(11-4-5-11)7-6-12-3-2-8-19-12/h2-3,8-11H,4-7H2,1H3.
What are the key properties of N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 72717928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).