1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide

C20H23FN2O3S — CID 26114956

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C20H23FN2O3S/c1-14-7-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)20(24)22-18-6-4-3-5-17(18)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyRKUHFQMRCULWRX-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.48
Rot. Bonds4

About 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 26114956) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID26114956
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C20H23FN2O3S/c1-14-7-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)20(24)22-18-6-4-3-5-17(18)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyRKUHFQMRCULWRX-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-(2-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26536772
N-[4-(piperidin-1-ylsulfonyl)phenyl]cyclohexanecarboxamide
CID 1013273
N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
N-{4-[(6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)sulfonyl]phenyl}acetamide
CID 2931012
1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 4843067
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclobutanecarboxamide
CID 7695818
N-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-2-phenyl-acetamide
CID 1071416
4-{4-[(4-Phenylpiperazin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
CID 2974169
N-[4-(dimethylamino)phenyl]-3-{4-[(4-isopropylphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3241036
N-[4-(Diethylamino)phenyl]-2-{4-[4-(propan-2-YL)benzenesulfonyl]piperazin-1-YL}acetamide
CID 16034807
1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-N-[4-(trifluoromethyl)phenyl]isonipecotamide
CID 17585068

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide (CID 26114956) is 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is RKUHFQMRCULWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14-7-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)20(24)22-18-6-4-3-5-17(18)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26114956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).