1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide

C20H22FN3O4S — CID 55732866

IUPAC1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22FN3O4S/c1-13-17(21)11-15(19(22)25)12-18(13)23-20(26)14-7-9-24(10-8-14)29(27,28)16-5-3-2-4-6-16/h2-6,11-12,14H,7-10H2,1H3,(H2,22,25)(H,23,26)
InChIKeyZQZJDLLJCFDBGY-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.27
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide (PubChem CID 55732866) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide
PubChem CID55732866
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22FN3O4S/c1-13-17(21)11-15(19(22)25)12-18(13)23-20(26)14-7-9-24(10-8-14)29(27,28)16-5-3-2-4-6-16/h2-6,11-12,14H,7-10H2,1H3,(H2,22,25)(H,23,26)
InChIKeyZQZJDLLJCFDBGY-UHFFFAOYSA-N
XLogP2.27
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide
CID 4656098
1-(4-carbamoylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081249
1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide
CID 56501029
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 30778995
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46554409
1-(benzenesulfonyl)-N-(4-carbamoyl-3-chlorophenyl)piperidine-4-carboxamide
CID 39170705
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
1-(benzenesulfonyl)-N-(4-methyl-2-nitrophenyl)piperidine-4-carboxamide
CID 8815408
N-(5-carbamoyl-2-methoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55783035

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide (CID 55732866) is 1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is ZQZJDLLJCFDBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-13-17(21)11-15(19(22)25)12-18(13)23-20(26)14-7-9-24(10-8-14)29(27,28)16-5-3-2-4-6-16/h2-6,11-12,14H,7-10H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of 1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55732866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).