2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide

C13H14F3N3O4S — CID 141109534

IUPAC2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide
SMILESNC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O4S/c14-13(15,16)8-1-3-9(4-2-8)24(22,23)19-6-5-18-12(21)10(19)7-11(17)20/h1-4,10H,5-7H2,(H2,17,20)(H,18,21)
InChIKeyNRJZDBZHWNSUSU-UHFFFAOYSA-N
MW365.33 g/mol
LogP0.07
Rot. Bonds4

About 2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide

2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide (PubChem CID 141109534) has the molecular formula C13H14F3N3O4S and a molecular weight of 365.33 g/mol. Its IUPAC name is 2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide
PubChem CID141109534
Molecular FormulaC13H14F3N3O4S
Molecular Weight365.33 g/mol
Exact Mass365.07
IUPAC Name2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide
SMILESNC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O4S/c14-13(15,16)8-1-3-9(4-2-8)24(22,23)19-6-5-18-12(21)10(19)7-11(17)20/h1-4,10H,5-7H2,(H2,17,20)(H,18,21)
InChIKeyNRJZDBZHWNSUSU-UHFFFAOYSA-N
XLogP0.07
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
CID 143068313
ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479019
methyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404752
ethyl 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479023
2-[(2S)-1-(4-tert-butylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 51717166
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 25402199
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 39311068
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
CID 42653788
4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 63606240
3-methylbutyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17079717
2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
CID 62034595

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide?
The IUPAC name of 2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide (CID 141109534) is 2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide.
What is the SMILES notation for 2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide?
The canonical SMILES for 2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide is NC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide?
The InChIKey is NRJZDBZHWNSUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O4S/c14-13(15,16)8-1-3-9(4-2-8)24(22,23)19-6-5-18-12(21)10(19)7-11(17)20/h1-4,10H,5-7H2,(H2,17,20)(H,18,21).
What are the key properties of 2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide?
2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide has a molecular weight of 365.33 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide is sourced from PubChem (CID 141109534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).