3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide

C16H15N3O2S2 — CID 166369498

IUPAC3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cccn1)c1sccc1C1CC1
InChIInChI=1S/C16H15N3O2S2/c20-23(21,16-13(8-11-22-16)12-6-7-12)18-14-4-1-2-5-15(14)19-10-3-9-17-19/h1-5,8-12,18H,6-7H2
InChIKeyHOCPQBNSKSMYEN-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.61
Rot. Bonds5

About 3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide

3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide (PubChem CID 166369498) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide
PubChem CID166369498
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cccn1)c1sccc1C1CC1
InChIInChI=1S/C16H15N3O2S2/c20-23(21,16-13(8-11-22-16)12-6-7-12)18-14-4-1-2-5-15(14)19-10-3-9-17-19/h1-5,8-12,18H,6-7H2
InChIKeyHOCPQBNSKSMYEN-UHFFFAOYSA-N
XLogP3.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide (CID 166369498) is 3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1-n1cccn1)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is HOCPQBNSKSMYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-23(21,16-13(8-11-22-16)12-6-7-12)18-14-4-1-2-5-15(14)19-10-3-9-17-19/h1-5,8-12,18H,6-7H2.
What are the key properties of 3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide?
3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 166369498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).