N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C22H27FN4O3S — CID 133239134

IUPACN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(c4cccc(F)c4)NN3)CC2)cc1
InChIInChI=1S/C22H27FN4O3S/c1-15-5-7-19(8-6-15)31(29,30)27-11-9-16(10-12-27)22(28)24-21-14-20(25-26-21)17-3-2-4-18(23)13-17/h2-8,13,16,20-21,25-26H,9-12,14H2,1H3,(H,24,28)
InChIKeyATNFUBRTCAIPAO-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.22
Rot. Bonds5

About N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 133239134) has the molecular formula C22H27FN4O3S and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID133239134
Molecular FormulaC22H27FN4O3S
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC NameN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(c4cccc(F)c4)NN3)CC2)cc1
InChIInChI=1S/C22H27FN4O3S/c1-15-5-7-19(8-6-15)31(29,30)27-11-9-16(10-12-27)22(28)24-21-14-20(25-26-21)17-3-2-4-18(23)13-17/h2-8,13,16,20-21,25-26H,9-12,14H2,1H3,(H,24,28)
InChIKeyATNFUBRTCAIPAO-UHFFFAOYSA-N
XLogP2.22
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831705
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
N-[(3-fluorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294908
1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide
CID 119426293
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 75194487
[2-(3-fluoroanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150889
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 133239134) is N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(c4cccc(F)c4)NN3)CC2)cc1.
What is the InChIKey of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ATNFUBRTCAIPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3S/c1-15-5-7-19(8-6-15)31(29,30)27-11-9-16(10-12-27)22(28)24-21-14-20(25-26-21)17-3-2-4-18(23)13-17/h2-8,13,16,20-21,25-26H,9-12,14H2,1H3,(H,24,28).
What are the key properties of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 133239134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).