N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide

C15H22FN3O3S — CID 42590095

IUPACN-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
SMILESCCN1CCN(S(=O)(=O)CCNC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O3S/c1-2-18-7-9-19(10-8-18)23(21,22)11-6-17-15(20)13-4-3-5-14(16)12-13/h3-5,12H,2,6-11H2,1H3,(H,17,20)
InChIKeyFZLRWNASWPPNNU-UHFFFAOYSA-N
MW343.42 g/mol
LogP0.52
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide

N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide (PubChem CID 42590095) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
PubChem CID42590095
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
SMILESCCN1CCN(S(=O)(=O)CCNC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O3S/c1-2-18-7-9-19(10-8-18)23(21,22)11-6-17-15(20)13-4-3-5-14(16)12-13/h3-5,12H,2,6-11H2,1H3,(H,17,20)
InChIKeyFZLRWNASWPPNNU-UHFFFAOYSA-N
XLogP0.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790572
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 16881351
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
CID 16881055
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
N-(1-ethyl-4-methylpiperidin-4-yl)-3-fluorobenzamide
CID 146322467
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
CID 42590040
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
3-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349576
3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345378
3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)benzamide
CID 110287574
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide (CID 42590095) is N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide is CCN1CCN(S(=O)(=O)CCNC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide?
The InChIKey is FZLRWNASWPPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-2-18-7-9-19(10-8-18)23(21,22)11-6-17-15(20)13-4-3-5-14(16)12-13/h3-5,12H,2,6-11H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide?
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide has a molecular weight of 343.42 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide is sourced from PubChem (CID 42590095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).