5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide

C12H14F3N3O3S — CID 54171274

IUPAC5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C12H14F3N3O3S/c13-12(14,15)9-2-1-8(7-10(9)22(16,20)21)11(19)18-5-3-17-4-6-18/h1-2,7,17H,3-6H2,(H2,16,20,21)
InChIKeyNYCAGRQORLOQAH-UHFFFAOYSA-N
MW337.32 g/mol
LogP0.40
Rot. Bonds2

About 5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide

5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 54171274) has the molecular formula C12H14F3N3O3S and a molecular weight of 337.32 g/mol. Its IUPAC name is 5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID54171274
Molecular FormulaC12H14F3N3O3S
Molecular Weight337.32 g/mol
Exact Mass337.07
IUPAC Name5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C12H14F3N3O3S/c13-12(14,15)9-2-1-8(7-10(9)22(16,20)21)11(19)18-5-3-17-4-6-18/h1-2,7,17H,3-6H2,(H2,16,20,21)
InChIKeyNYCAGRQORLOQAH-UHFFFAOYSA-N
XLogP0.40
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide
CID 146089966
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
[3-amino-4-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 138911089
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9081742
(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
CID 103804969
(4-amino-3-fluorophenyl)-piperazin-1-ylmethanone;tert-butyl formate
CID 158797916
2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride
CID 154750761
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
[4-bromo-3-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 81425967
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
[3-bromo-4-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 176508144

Frequently Asked Questions

What is the IUPAC name of 5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide (CID 54171274) is 5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCNCC2)ccc1C(F)(F)F.
What is the InChIKey of 5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NYCAGRQORLOQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3S/c13-12(14,15)9-2-1-8(7-10(9)22(16,20)21)11(19)18-5-3-17-4-6-18/h1-2,7,17H,3-6H2,(H2,16,20,21).
What are the key properties of 5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide?
5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 337.32 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazine-1-carbonyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 54171274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).