[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone

C18H16Cl2F2N2O4S — CID 27757610

IUPAC[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H16Cl2F2N2O4S/c19-14-2-1-3-15(20)16(14)29(26,27)24-10-8-23(9-11-24)17(25)12-4-6-13(7-5-12)28-18(21)22/h1-7,18H,8-11H2
InChIKeyUMJBZCWWMXNMEI-UHFFFAOYSA-N
MW465.31 g/mol
LogP3.74
Rot. Bonds5

About [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone

[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone (PubChem CID 27757610) has the molecular formula C18H16Cl2F2N2O4S and a molecular weight of 465.31 g/mol. Its IUPAC name is [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
PubChem CID27757610
Molecular FormulaC18H16Cl2F2N2O4S
Molecular Weight465.31 g/mol
Exact Mass464.02
IUPAC Name[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H16Cl2F2N2O4S/c19-14-2-1-3-15(20)16(14)29(26,27)24-10-8-23(9-11-24)17(25)12-4-6-13(7-5-12)28-18(21)22/h1-7,18H,8-11H2
InChIKeyUMJBZCWWMXNMEI-UHFFFAOYSA-N
XLogP3.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 34033160
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
(3-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181358
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 27563113
[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 63397857
[3-(difluoromethoxy)phenyl]-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26204321
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55344306
(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27757766
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483
[4-(difluoromethoxy)phenyl]-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 27785714

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone (CID 27757610) is [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)F)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
The InChIKey is UMJBZCWWMXNMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F2N2O4S/c19-14-2-1-3-15(20)16(14)29(26,27)24-10-8-23(9-11-24)17(25)12-4-6-13(7-5-12)28-18(21)22/h1-7,18H,8-11H2.
What are the key properties of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone?
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone has a molecular weight of 465.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 27757610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).