4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide

C14H18F3N3O3S — CID 119970062

IUPAC4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CNCCN1S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O3S/c1-10-8-18-6-7-20(10)24(22,23)12-4-2-11(3-5-12)13(21)19-9-14(15,16)17/h2-5,10,18H,6-9H2,1H3,(H,19,21)
InChIKeyBFTDSSIXYFTTBL-UHFFFAOYSA-N
MW365.38 g/mol
LogP0.96
Rot. Bonds4

About 4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide

4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 119970062) has the molecular formula C14H18F3N3O3S and a molecular weight of 365.38 g/mol. Its IUPAC name is 4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID119970062
Molecular FormulaC14H18F3N3O3S
Molecular Weight365.38 g/mol
Exact Mass365.10
IUPAC Name4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CNCCN1S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O3S/c1-10-8-18-6-7-20(10)24(22,23)12-4-2-11(3-5-12)13(21)19-9-14(15,16)17/h2-5,10,18H,6-9H2,1H3,(H,19,21)
InChIKeyBFTDSSIXYFTTBL-UHFFFAOYSA-N
XLogP0.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzamide
CID 82755291
N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969796
ethyl 4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120716936
ethyl 4-(2-methylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 119969997
4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51294950
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 119969812
4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 120725183
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119975015
methyl 2-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzoate
CID 119970177

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (CID 119970062) is 4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is CC1CNCCN1S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is BFTDSSIXYFTTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3S/c1-10-8-18-6-7-20(10)24(22,23)12-4-2-11(3-5-12)13(21)19-9-14(15,16)17/h2-5,10,18H,6-9H2,1H3,(H,19,21).
What are the key properties of 4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 365.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 119970062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).