5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide

C17H17BrF3N3O3S2 — CID 15993267

IUPAC5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H17BrF3N3O3S2/c18-14-4-5-16(28-14)29(26,27)22-11-15(25)24-8-6-23(7-9-24)13-3-1-2-12(10-13)17(19,20)21/h1-5,10,22H,6-9,11H2
InChIKeyDAMXZNBSZHVCLN-UHFFFAOYSA-N
MW512.37 g/mol
LogP3.16
Rot. Bonds5

About 5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 15993267) has the molecular formula C17H17BrF3N3O3S2 and a molecular weight of 512.37 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID15993267
Molecular FormulaC17H17BrF3N3O3S2
Molecular Weight512.37 g/mol
Exact Mass510.98
IUPAC Name5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H17BrF3N3O3S2/c18-14-4-5-16(28-14)29(26,27)22-11-15(25)24-8-6-23(7-9-24)13-3-1-2-12(10-13)17(19,20)21/h1-5,10,22H,6-9,11H2
InChIKeyDAMXZNBSZHVCLN-UHFFFAOYSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 171647781
2,2,2-trifluoroethyl N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 78905464
3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 33233825
3-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 78769873
N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 17490131
4-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 5222838
4-nitro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 17192965
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55339531
[3-oxo-1-thiophen-2-yl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]urea
CID 47017346
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 56545723
2-phenoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 3554555
3-amino-3-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 15993267) is 5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is DAMXZNBSZHVCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF3N3O3S2/c18-14-4-5-16(28-14)29(26,27)22-11-15(25)24-8-6-23(7-9-24)13-3-1-2-12(10-13)17(19,20)21/h1-5,10,22H,6-9,11H2.
What are the key properties of 5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 512.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 15993267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).