N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide

C24H23F2N3O3S — CID 46554409

IUPACN-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H23F2N3O3S/c25-22-11-10-21(16-23(22)26)33(31,32)29-14-12-17(13-15-29)24(30)28-20-8-6-19(7-9-20)27-18-4-2-1-3-5-18/h1-11,16-17,27H,12-15H2,(H,28,30)
InChIKeyXGBQVSKTSROPEF-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.75
Rot. Bonds6

About N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide

N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 46554409) has the molecular formula C24H23F2N3O3S and a molecular weight of 471.53 g/mol. Its IUPAC name is N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID46554409
Molecular FormulaC24H23F2N3O3S
Molecular Weight471.53 g/mol
Exact Mass471.14
IUPAC NameN-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H23F2N3O3S/c25-22-11-10-21(16-23(22)26)33(31,32)29-14-12-17(13-15-29)24(30)28-20-8-6-19(7-9-20)27-18-4-2-1-3-5-18/h1-11,16-17,27H,12-15H2,(H,28,30)
InChIKeyXGBQVSKTSROPEF-UHFFFAOYSA-N
XLogP4.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 26914170
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
N-[4-(difluoromethoxy)phenyl]-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26800860
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
N-(4-amino-3,5-dichlorophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16577110
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
1-(3,4-difluorophenyl)sulfonyl-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 26729067
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(4-bromophenyl)-1-[1-(3,4-difluorophenyl)sulfonyl-4-phenylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 166353701
1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 38255420
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide (CID 46554409) is N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XGBQVSKTSROPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3S/c25-22-11-10-21(16-23(22)26)33(31,32)29-14-12-17(13-15-29)24(30)28-20-8-6-19(7-9-20)27-18-4-2-1-3-5-18/h1-11,16-17,27H,12-15H2,(H,28,30).
What are the key properties of N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46554409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).