1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine

C17H16Cl2F2N2O2S — CID 19582940

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C17H16Cl2F2N2O2S/c18-13-4-5-14(19)16(10-13)26(24,25)23-8-6-22(7-9-23)11-12-2-1-3-15(20)17(12)21/h1-5,10H,6-9,11H2
InChIKeyPTSJZARFDLWZNJ-UHFFFAOYSA-N
MW421.30 g/mol
LogP3.78
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine

1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine (PubChem CID 19582940) has the molecular formula C17H16Cl2F2N2O2S and a molecular weight of 421.30 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine
PubChem CID19582940
Molecular FormulaC17H16Cl2F2N2O2S
Molecular Weight421.30 g/mol
Exact Mass420.03
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C17H16Cl2F2N2O2S/c18-13-4-5-14(19)16(10-13)26(24,25)23-8-6-22(7-9-23)11-12-2-1-3-15(20)17(12)21/h1-5,10H,6-9,11H2
InChIKeyPTSJZARFDLWZNJ-UHFFFAOYSA-N
XLogP3.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 47023387
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 6734604
1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine
CID 22208359
1-(2-chloroethyl)-4-(2,5-dichlorophenyl)sulfonyl-1,4-diazepane
CID 63397365
4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 39998547
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
4-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 4794683
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4194583
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8689243
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine (CID 19582940) is 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine?
The InChIKey is PTSJZARFDLWZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F2N2O2S/c18-13-4-5-14(19)16(10-13)26(24,25)23-8-6-22(7-9-23)11-12-2-1-3-15(20)17(12)21/h1-5,10H,6-9,11H2.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine?
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine has a molecular weight of 421.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 19582940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).