5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide

C11H15ClF3N3O2S2 — CID 120778796

IUPAC5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClF3N3O2S2/c12-9-1-2-10(21-9)22(19,20)17-7-8(11(13,14)15)18-5-3-16-4-6-18/h1-2,8,16-17H,3-7H2
InChIKeySTCCPWDXJKRZLU-UHFFFAOYSA-N
MW377.84 g/mol
LogP1.52
Rot. Bonds5

About 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide

5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 120778796) has the molecular formula C11H15ClF3N3O2S2 and a molecular weight of 377.84 g/mol. Its IUPAC name is 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID120778796
Molecular FormulaC11H15ClF3N3O2S2
Molecular Weight377.84 g/mol
Exact Mass377.02
IUPAC Name5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClF3N3O2S2/c12-9-1-2-10(21-9)22(19,20)17-7-8(11(13,14)15)18-5-3-16-4-6-18/h1-2,8,16-17H,3-7H2
InChIKeySTCCPWDXJKRZLU-UHFFFAOYSA-N
XLogP1.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide (CID 120778796) is 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is STCCPWDXJKRZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O2S2/c12-9-1-2-10(21-9)22(19,20)17-7-8(11(13,14)15)18-5-3-16-4-6-18/h1-2,8,16-17H,3-7H2.
What are the key properties of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide?
5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 377.84 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 120778796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).