N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide

C19H20F3N3O5S2 — CID 55339531

IUPACN-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20F3N3O5S2/c20-19(21,22)15-5-4-8-17(13-15)31(27,28)23-14-18(26)24-9-11-25(12-10-24)32(29,30)16-6-2-1-3-7-16/h1-8,13,23H,9-12,14H2
InChIKeyNMJZHIVWOUWPDI-UHFFFAOYSA-N
MW491.51 g/mol
LogP1.52
Rot. Bonds6

About N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 55339531) has the molecular formula C19H20F3N3O5S2 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID55339531
Molecular FormulaC19H20F3N3O5S2
Molecular Weight491.51 g/mol
Exact Mass491.08
IUPAC NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20F3N3O5S2/c20-19(21,22)15-5-4-8-17(13-15)31(27,28)23-14-18(26)24-9-11-25(12-10-24)32(29,30)16-6-2-1-3-7-16/h1-8,13,23H,9-12,14H2
InChIKeyNMJZHIVWOUWPDI-UHFFFAOYSA-N
XLogP1.52
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
CID 17487848
N-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55359611
N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
CID 26778544
2-(2-chlorophenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 52897146
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119413147
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N'-[3-(trifluoromethyl)phenyl]butanehydrazide
CID 55509069
N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55407572
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pentan-1-one
CID 78780067
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 56545723
2-(2-methoxyphenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 2664294
N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide
CID 55605549
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[3,5-bis(trifluoromethyl)phenoxy]ethanone
CID 2544511

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 55339531) is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NMJZHIVWOUWPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O5S2/c20-19(21,22)15-5-4-8-17(13-15)31(27,28)23-14-18(26)24-9-11-25(12-10-24)32(29,30)16-6-2-1-3-7-16/h1-8,13,23H,9-12,14H2.
What are the key properties of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 491.51 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55339531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).