1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine

C17H17Cl2FN2O2S — CID 38748587

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H17Cl2FN2O2S/c18-15-3-1-2-4-17(15)25(23,24)22-9-7-21(8-10-22)12-13-5-6-14(20)11-16(13)19/h1-6,11H,7-10,12H2
InChIKeyKORQDZGJPXVZMM-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.64
Rot. Bonds4

About 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine

1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine (PubChem CID 38748587) has the molecular formula C17H17Cl2FN2O2S and a molecular weight of 403.31 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
PubChem CID38748587
Molecular FormulaC17H17Cl2FN2O2S
Molecular Weight403.31 g/mol
Exact Mass402.04
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H17Cl2FN2O2S/c18-15-3-1-2-4-17(15)25(23,24)22-9-7-21(8-10-22)12-13-5-6-14(20)11-16(13)19/h1-6,11H,7-10,12H2
InChIKeyKORQDZGJPXVZMM-UHFFFAOYSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine
CID 22204929
1-(2-chlorophenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 38749302
8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
CID 55625872
1-[(2-chloro-4-fluorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 22204940
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46556545
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 19583337
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391386
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
1-[(4-tert-butylphenyl)methyl]-4-(2-chloro-4-fluorophenyl)sulfonylpiperazine
CID 3766519
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339732

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine (CID 38748587) is 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine?
The InChIKey is KORQDZGJPXVZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O2S/c18-15-3-1-2-4-17(15)25(23,24)22-9-7-21(8-10-22)12-13-5-6-14(20)11-16(13)19/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine?
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine has a molecular weight of 403.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 38748587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).