1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine

C17H17Cl2FN2O3S — CID 2178853

IUPAC1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESCOc1c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2FN2O3S/c1-25-17-15(7-6-12(18)16(17)19)26(23,24)22-10-8-21(9-11-22)14-5-3-2-4-13(14)20/h2-7H,8-11H2,1H3
InChIKeyKBRIULXKLOSEHV-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.65
Rot. Bonds4

About 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine

1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine (PubChem CID 2178853) has the molecular formula C17H17Cl2FN2O3S and a molecular weight of 419.31 g/mol. Its IUPAC name is 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine
PubChem CID2178853
Molecular FormulaC17H17Cl2FN2O3S
Molecular Weight419.31 g/mol
Exact Mass418.03
IUPAC Name1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESCOc1c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2FN2O3S/c1-25-17-15(7-6-12(18)16(17)19)26(23,24)22-10-8-21(9-11-22)14-5-3-2-4-13(14)20/h2-7H,8-11H2,1H3
InChIKeyKBRIULXKLOSEHV-UHFFFAOYSA-N
XLogP3.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 1296699
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 25248844
(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98212078
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 50876448
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methoxyphenyl]-1H-pyridazin-6-one
CID 53054083
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 3554016
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113076622
4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one
CID 31534078
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 16644067
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
CID 91670186

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine (CID 2178853) is 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine is COc1c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc(Cl)c1Cl.
What is the InChIKey of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine?
The InChIKey is KBRIULXKLOSEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O3S/c1-25-17-15(7-6-12(18)16(17)19)26(23,24)22-10-8-21(9-11-22)14-5-3-2-4-13(14)20/h2-7H,8-11H2,1H3.
What are the key properties of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine?
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine has a molecular weight of 419.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 2178853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).