2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide

C14H18F3N3O3S — CID 110397603

IUPAC2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H18F3N3O3S/c1-24(22,23)20-8-6-19(7-9-20)5-4-18-14(21)10-2-3-11(15)13(17)12(10)16/h2-3H,4-9H2,1H3,(H,18,21)
InChIKeyKKCXZAUDTXZKLQ-UHFFFAOYSA-N
MW365.38 g/mol
LogP0.41
Rot. Bonds5

About 2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide

2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide (PubChem CID 110397603) has the molecular formula C14H18F3N3O3S and a molecular weight of 365.38 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
PubChem CID110397603
Molecular FormulaC14H18F3N3O3S
Molecular Weight365.38 g/mol
Exact Mass365.10
IUPAC Name2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H18F3N3O3S/c1-24(22,23)20-8-6-19(7-9-20)5-4-18-14(21)10-2-3-11(15)13(17)12(10)16/h2-3H,4-9H2,1H3,(H,18,21)
InChIKeyKKCXZAUDTXZKLQ-UHFFFAOYSA-N
XLogP0.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790572
2,3,4-trifluoro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392644
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride
CID 71782782
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397608
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 47790503
3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 20933689
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,5-difluoro-4-methylbenzamide
CID 99632770

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide (CID 110397603) is 2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide is CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is KKCXZAUDTXZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3S/c1-24(22,23)20-8-6-19(7-9-20)5-4-18-14(21)10-2-3-11(15)13(17)12(10)16/h2-3H,4-9H2,1H3,(H,18,21).
What are the key properties of 2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 365.38 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 110397603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).