3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride

C31H28ClF6N5O7S2 — CID 158204711

IUPAC3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride
SMILESCc1nc(-c2ccc(N3CC(CN4CCN(S(=O)(=O)c5ccc(C(F)(F)F)cc5)CC4)OC3=O)cc2)no1.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24F3N5O5S.C7H4ClF3O2S/c1-16-28-22(29-37-16)17-2-6-19(7-3-17)32-15-20(36-23(32)33)14-30-10-12-31(13-11-30)38(34,35)21-8-4-18(5-9-21)24(25,26)27;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h2-9,20H,10-15H2,1H3;1-4H
InChIKeyGBIXMIZXLGWYMV-UHFFFAOYSA-N
MW796.17 g/mol
LogP6.03
Rot. Bonds7

About 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride

3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 158204711) has the molecular formula C31H28ClF6N5O7S2 and a molecular weight of 796.17 g/mol. Its IUPAC name is 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID158204711
Molecular FormulaC31H28ClF6N5O7S2
Molecular Weight796.17 g/mol
Exact Mass795.10
IUPAC Name3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride
SMILESCc1nc(-c2ccc(N3CC(CN4CCN(S(=O)(=O)c5ccc(C(F)(F)F)cc5)CC4)OC3=O)cc2)no1.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24F3N5O5S.C7H4ClF3O2S/c1-16-28-22(29-37-16)17-2-6-19(7-3-17)32-15-20(36-23(32)33)14-30-10-12-31(13-11-30)38(34,35)21-8-4-18(5-9-21)24(25,26)27;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h2-9,20H,10-15H2,1H3;1-4H
InChIKeyGBIXMIZXLGWYMV-UHFFFAOYSA-N
XLogP6.03
TPSA143.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.17
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 57250790
4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 159182329
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 54156009
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 54531284
3-[4-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]-5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 170161080
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 54318818
5-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidine-2-carbaldehyde
CID 175235147
N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide
CID 10301822
3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 57296286
dibenzyl 2-[4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioate
CID 70050476
N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
CID 54541927
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate
CID 151574030

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride (CID 158204711) is 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride is Cc1nc(-c2ccc(N3CC(CN4CCN(S(=O)(=O)c5ccc(C(F)(F)F)cc5)CC4)OC3=O)cc2)no1.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is GBIXMIZXLGWYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O5S.C7H4ClF3O2S/c1-16-28-22(29-37-16)17-2-6-19(7-3-17)32-15-20(36-23(32)33)14-30-10-12-31(13-11-30)38(34,35)21-8-4-18(5-9-21)24(25,26)27;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h2-9,20H,10-15H2,1H3;1-4H.
What are the key properties of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride?
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 796.17 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 158204711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).