1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine

C12H16ClFN2O4S2 — CID 110819028

IUPAC1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C12H16ClFN2O4S2/c1-2-21(17,18)15-5-7-16(8-6-15)22(19,20)12-9-10(13)3-4-11(12)14/h3-4,9H,2,5-8H2,1H3
InChIKeyFUHNOBUPQTVANY-UHFFFAOYSA-N
MW370.86 g/mol
LogP1.14
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine

1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine (PubChem CID 110819028) has the molecular formula C12H16ClFN2O4S2 and a molecular weight of 370.86 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine
PubChem CID110819028
Molecular FormulaC12H16ClFN2O4S2
Molecular Weight370.86 g/mol
Exact Mass370.02
IUPAC Name1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C12H16ClFN2O4S2/c1-2-21(17,18)15-5-7-16(8-6-15)22(19,20)12-9-10(13)3-4-11(12)14/h3-4,9H,2,5-8H2,1H3
InChIKeyFUHNOBUPQTVANY-UHFFFAOYSA-N
XLogP1.14
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817241
1-[4-(5-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817392
1-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120894056
ethyl 1-(5-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 110759367
1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 6957242
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-4-pentylsulfonylpiperazine
CID 86937189
1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine
CID 71106524
1-(3,4-difluorophenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799661
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 120894115
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine (CID 110819028) is 1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine?
The InChIKey is FUHNOBUPQTVANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O4S2/c1-2-21(17,18)15-5-7-16(8-6-15)22(19,20)12-9-10(13)3-4-11(12)14/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine?
1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine has a molecular weight of 370.86 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine is sourced from PubChem (CID 110819028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).