5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide

C10H10ClF2N3O2S2 — CID 138013467

IUPAC5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(C(F)F)n1cccn1)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClF2N3O2S2/c11-8-2-3-9(19-8)20(17,18)15-6-7(10(12)13)16-5-1-4-14-16/h1-5,7,10,15H,6H2
InChIKeyNRFDKYSJRFICCT-UHFFFAOYSA-N
MW341.79 g/mol
LogP2.38
Rot. Bonds6

About 5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide

5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 138013467) has the molecular formula C10H10ClF2N3O2S2 and a molecular weight of 341.79 g/mol. Its IUPAC name is 5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID138013467
Molecular FormulaC10H10ClF2N3O2S2
Molecular Weight341.79 g/mol
Exact Mass340.99
IUPAC Name5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(C(F)F)n1cccn1)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClF2N3O2S2/c11-8-2-3-9(19-8)20(17,18)15-6-7(10(12)13)16-5-1-4-14-16/h1-5,7,10,15H,6H2
InChIKeyNRFDKYSJRFICCT-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide (CID 138013467) is 5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCC(C(F)F)n1cccn1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is NRFDKYSJRFICCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N3O2S2/c11-8-2-3-9(19-8)20(17,18)15-6-7(10(12)13)16-5-1-4-14-16/h1-5,7,10,15H,6H2.
What are the key properties of 5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 341.79 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 138013467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).