1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide

C20H23FN2O4S — CID 17018169

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C20H23FN2O4S/c1-14-5-3-4-6-17(14)22-20(24)15-9-11-23(12-10-15)28(25,26)19-13-16(21)7-8-18(19)27-2/h3-8,13,15H,9-12H2,1-2H3,(H,22,24)
InChIKeyLOFCBMRPPFRMSB-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.18
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide

1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide (PubChem CID 17018169) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
PubChem CID17018169
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C20H23FN2O4S/c1-14-5-3-4-6-17(14)22-20(24)15-9-11-23(12-10-15)28(25,26)19-13-16(21)7-8-18(19)27-2/h3-8,13,15H,9-12H2,1-2H3,(H,22,24)
InChIKeyLOFCBMRPPFRMSB-UHFFFAOYSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264
N-(2-methylphenyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935080
N-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092875
N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550794
N-(2,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872989
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 17018176
N-(2-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126354038
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874975
N-[1-(3-bromophenyl)ethyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 43873160

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide (CID 17018169) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide is COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is LOFCBMRPPFRMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-14-5-3-4-6-17(14)22-20(24)15-9-11-23(12-10-15)28(25,26)19-13-16(21)7-8-18(19)27-2/h3-8,13,15H,9-12H2,1-2H3,(H,22,24).
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17018169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).