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

C11H16Cl2F3N3O2S2 — CID 120778795

IUPAC5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClF3N3O2S2.ClH/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;1H
InChIKeyPAPZWINUGNMPGO-UHFFFAOYSA-N
MW414.30 g/mol
LogP1.94
Rot. Bonds5

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

5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 120778795) has the molecular formula C11H16Cl2F3N3O2S2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID120778795
Molecular FormulaC11H16Cl2F3N3O2S2
Molecular Weight414.30 g/mol
Exact Mass413.00
IUPAC Name5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClF3N3O2S2.ClH/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;1H
InChIKeyPAPZWINUGNMPGO-UHFFFAOYSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride (CID 120778795) is 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is PAPZWINUGNMPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O2S2.ClH/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;1H.
What are the key properties of 5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
5-chloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 414.30 g/mol, XLogP of 1.94, 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;hydrochloride is sourced from PubChem (CID 120778795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).