1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine

C12H17FN2O5S2 — CID 110818979

IUPAC1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1F
InChIInChI=1S/C12H17FN2O5S2/c1-20-12-4-3-10(9-11(12)13)22(18,19)15-7-5-14(6-8-15)21(2,16)17/h3-4,9H,5-8H2,1-2H3
InChIKeyPJALWWCIFOCISO-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.10
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine

1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine (PubChem CID 110818979) has the molecular formula C12H17FN2O5S2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
PubChem CID110818979
Molecular FormulaC12H17FN2O5S2
Molecular Weight352.41 g/mol
Exact Mass352.06
IUPAC Name1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1F
InChIInChI=1S/C12H17FN2O5S2/c1-20-12-4-3-10(9-11(12)13)22(18,19)15-7-5-14(6-8-15)21(2,16)17/h3-4,9H,5-8H2,1-2H3
InChIKeyPJALWWCIFOCISO-UHFFFAOYSA-N
XLogP0.10
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 103697257
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine
CID 37498338
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
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
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060926
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
[4-(3-fluoro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
CID 112823147
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine (CID 110818979) is 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine?
The InChIKey is PJALWWCIFOCISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O5S2/c1-20-12-4-3-10(9-11(12)13)22(18,19)15-7-5-14(6-8-15)21(2,16)17/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine?
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine has a molecular weight of 352.41 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 110818979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).