1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide

C19H18Cl2F2N2O4S — CID 34033160

IUPAC1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H18Cl2F2N2O4S/c20-15-2-1-3-16(21)17(15)30(27,28)25-10-8-12(9-11-25)18(26)24-13-4-6-14(7-5-13)29-19(22)23/h1-7,12,19H,8-11H2,(H,24,26)
InChIKeyHRPMGSPHHVJNOQ-UHFFFAOYSA-N
MW479.33 g/mol
LogP4.63
Rot. Bonds6

About 1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide

1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 34033160) has the molecular formula C19H18Cl2F2N2O4S and a molecular weight of 479.33 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID34033160
Molecular FormulaC19H18Cl2F2N2O4S
Molecular Weight479.33 g/mol
Exact Mass478.03
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H18Cl2F2N2O4S/c20-15-2-1-3-16(21)17(15)30(27,28)25-10-8-12(9-11-25)18(26)24-13-4-6-14(7-5-13)29-19(22)23/h1-7,12,19H,8-11H2,(H,24,26)
InChIKeyHRPMGSPHHVJNOQ-UHFFFAOYSA-N
XLogP4.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 34033203
N-[4-(difluoromethoxy)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894793
N-[4-(difluoromethoxy)phenyl]-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26800860
N-[4-(difluoromethoxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 2709465
N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 46570709
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 27757610
N-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55779087
1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 38255420
N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26727729
(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648529
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 27194088

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide (CID 34033160) is 1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is HRPMGSPHHVJNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F2N2O4S/c20-15-2-1-3-16(21)17(15)30(27,28)25-10-8-12(9-11-25)18(26)24-13-4-6-14(7-5-13)29-19(22)23/h1-7,12,19H,8-11H2,(H,24,26).
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 479.33 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 34033160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).