1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide

C20H21F3N2O3S — CID 52999288

IUPAC1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccc(F)cc2)CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H21F3N2O3S/c1-20(19(26)24-13-14-2-4-15(21)5-3-14)8-10-25(11-9-20)29(27,28)18-7-6-16(22)12-17(18)23/h2-7,12H,8-11,13H2,1H3,(H,24,26)
InChIKeyBVAQACLBQGSXPC-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.21
Rot. Bonds5

About 1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide

1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide (PubChem CID 52999288) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
PubChem CID52999288
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccc(F)cc2)CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H21F3N2O3S/c1-20(19(26)24-13-14-2-4-15(21)5-3-14)8-10-25(11-9-20)29(27,28)18-7-6-16(22)12-17(18)23/h2-7,12H,8-11,13H2,1H3,(H,24,26)
InChIKeyBVAQACLBQGSXPC-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,4-difluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 93071376
(3S)-1-(2,4-difluorophenyl)sulfonyl-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 93071426
N-[(4-fluorophenyl)methyl]-4-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 53070906
1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999342
1-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999272
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999277
[4-(4,4-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79189556
N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 52999238
1-(3,5-dimethylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999374
1-(5-fluoro-2-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117440
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
(3R)-1-(3,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088296

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide (CID 52999288) is 1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)NCc2ccc(F)cc2)CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is BVAQACLBQGSXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-20(19(26)24-13-14-2-4-15(21)5-3-14)8-10-25(11-9-20)29(27,28)18-7-6-16(22)12-17(18)23/h2-7,12H,8-11,13H2,1H3,(H,24,26).
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide?
1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 52999288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).