N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide

C10H10F3N3O2S2 — CID 71808060

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C10H10F3N3O2S2/c11-10(12,13)8-3-5-16(15-8)6-4-14-20(17,18)9-2-1-7-19-9/h1-3,5,7,14H,4,6H2
InChIKeyGPTOKRDZXFJRKC-UHFFFAOYSA-N
MW325.34 g/mol
LogP1.94
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 71808060) has the molecular formula C10H10F3N3O2S2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID71808060
Molecular FormulaC10H10F3N3O2S2
Molecular Weight325.34 g/mol
Exact Mass325.02
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C10H10F3N3O2S2/c11-10(12,13)8-3-5-16(15-8)6-4-14-20(17,18)9-2-1-7-19-9/h1-3,5,7,14H,4,6H2
InChIKeyGPTOKRDZXFJRKC-UHFFFAOYSA-N
XLogP1.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide (CID 71808060) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1cccs1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is GPTOKRDZXFJRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2S2/c11-10(12,13)8-3-5-16(15-8)6-4-14-20(17,18)9-2-1-7-19-9/h1-3,5,7,14H,4,6H2.
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 325.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71808060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).