5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C14H14F3N3O2S2 — CID 75975226

IUPAC5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(C2CCNN2)s1
InChIInChI=1S/C14H14F3N3O2S2/c15-14(16,17)9-2-1-3-10(8-9)20-24(21,22)13-5-4-12(23-13)11-6-7-18-19-11/h1-5,8,11,18-20H,6-7H2
InChIKeyWECDJZPBHJTLOR-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.11
Rot. Bonds4

About 5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 75975226) has the molecular formula C14H14F3N3O2S2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID75975226
Molecular FormulaC14H14F3N3O2S2
Molecular Weight377.41 g/mol
Exact Mass377.05
IUPAC Name5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(C2CCNN2)s1
InChIInChI=1S/C14H14F3N3O2S2/c15-14(16,17)9-2-1-3-10(8-9)20-24(21,22)13-5-4-12(23-13)11-6-7-18-19-11/h1-5,8,11,18-20H,6-7H2
InChIKeyWECDJZPBHJTLOR-UHFFFAOYSA-N
XLogP3.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 75975226) is 5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(C2CCNN2)s1.
What is the InChIKey of 5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is WECDJZPBHJTLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S2/c15-14(16,17)9-2-1-3-10(8-9)20-24(21,22)13-5-4-12(23-13)11-6-7-18-19-11/h1-5,8,11,18-20H,6-7H2.
What are the key properties of 5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 377.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazolidin-3-yl-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 75975226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).