1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine

C13H19FN2O3S — CID 39730317

IUPAC1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C13H19FN2O3S/c1-3-15-6-8-16(9-7-15)20(17,18)11-4-5-13(19-2)12(14)10-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyNNMVXCQLELJRCX-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.16
Rot. Bonds4

About 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine

1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine (PubChem CID 39730317) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
PubChem CID39730317
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C13H19FN2O3S/c1-3-15-6-8-16(9-7-15)20(17,18)11-4-5-13(19-2)12(14)10-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyNNMVXCQLELJRCX-UHFFFAOYSA-N
XLogP1.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine
CID 37498338
1-[3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonyl-4-ethylpiperazine
CID 46088911
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502
1,4-bis[(4-fluoro-3-methoxyphenyl)sulfonyl]-1,4-diazepane
CID 22332516
N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811236
1-ethyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperazine
CID 1190535
2-[ethyl-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]acetic acid
CID 128997282
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060926
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-methoxy-3,5-dimethylphenyl)sulfonylpiperazine
CID 112823037

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine (CID 39730317) is 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine is CCN1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is NNMVXCQLELJRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-15-6-8-16(9-7-15)20(17,18)11-4-5-13(19-2)12(14)10-11/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine?
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 302.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 39730317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).