4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

C20H20F2N2O4S — CID 26905324

IUPAC4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H20F2N2O4S/c21-20(22)29(27,28)15-10-8-14(9-11-15)18(25)23-17-7-3-2-6-16(17)19(26)24-12-4-1-5-13-24/h2-3,6-11,20H,1,4-5,12-13H2,(H,23,25)
InChIKeySMEGCHCNMVHKSV-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.56
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 26905324) has the molecular formula C20H20F2N2O4S and a molecular weight of 422.45 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID26905324
Molecular FormulaC20H20F2N2O4S
Molecular Weight422.45 g/mol
Exact Mass422.11
IUPAC Name4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H20F2N2O4S/c21-20(22)29(27,28)15-10-8-14(9-11-15)18(25)23-17-7-3-2-6-16(17)19(26)24-12-4-1-5-13-24/h2-3,6-11,20H,1,4-5,12-13H2,(H,23,25)
InChIKeySMEGCHCNMVHKSV-UHFFFAOYSA-N
XLogP3.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8713756
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38099909
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46543764
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 38099687
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
N-[2-(piperidine-1-carbonyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 35276684

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (CID 26905324) is 4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is SMEGCHCNMVHKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4S/c21-20(22)29(27,28)15-10-8-14(9-11-15)18(25)23-17-7-3-2-6-16(17)19(26)24-12-4-1-5-13-24/h2-3,6-11,20H,1,4-5,12-13H2,(H,23,25).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 422.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26905324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).