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

C11H17ClF3N3O2S2 — CID 120778647

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3N3O2S2.ClH/c12-11(13,14)9(17-5-3-15-4-6-17)8-16-21(18,19)10-2-1-7-20-10;/h1-2,7,9,15-16H,3-6,8H2;1H
InChIKeyNVRQNXFTWQSJTF-UHFFFAOYSA-N
MW379.86 g/mol
LogP1.28
Rot. Bonds5

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

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 120778647) has the molecular formula C11H17ClF3N3O2S2 and a molecular weight of 379.86 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID120778647
Molecular FormulaC11H17ClF3N3O2S2
Molecular Weight379.86 g/mol
Exact Mass379.04
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3N3O2S2.ClH/c12-11(13,14)9(17-5-3-15-4-6-17)8-16-21(18,19)10-2-1-7-20-10;/h1-2,7,9,15-16H,3-6,8H2;1H
InChIKeyNVRQNXFTWQSJTF-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778525
5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778669
4,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778349
2-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778781
methyl 2-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]benzoate;hydrochloride
CID 120778601
2,4,5-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778859
2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778544
5-fluoro-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778621
4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778661
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778792
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)quinoline-5-sulfonamide;hydrochloride
CID 120778493
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
CID 120778775

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride (CID 120778647) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cccs1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is NVRQNXFTWQSJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S2.ClH/c12-11(13,14)9(17-5-3-15-4-6-17)8-16-21(18,19)10-2-1-7-20-10;/h1-2,7,9,15-16H,3-6,8H2;1H.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 379.86 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120778647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).