1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide

C22H31FN2O3S — CID 55413706

IUPAC1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)C1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C2
InChIInChI=1S/C22H31FN2O3S/c1-21(2)16-10-11-22(21,3)19(13-16)24-20(26)15-5-4-12-25(14-15)29(27,28)18-8-6-17(23)7-9-18/h6-9,15-16,19H,4-5,10-14H2,1-3H3,(H,24,26)
InChIKeyLOULBLDDHSWOSS-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide (PubChem CID 55413706) has the molecular formula C22H31FN2O3S and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
PubChem CID55413706
Molecular FormulaC22H31FN2O3S
Molecular Weight422.57 g/mol
Exact Mass422.20
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)C1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C2
InChIInChI=1S/C22H31FN2O3S/c1-21(2)16-10-11-22(21,3)19(13-16)24-20(26)15-5-4-12-25(14-15)29(27,28)18-8-6-17(23)7-9-18/h6-9,15-16,19H,4-5,10-14H2,1-3H3,(H,24,26)
InChIKeyLOULBLDDHSWOSS-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide (CID 55413706) is 1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)C1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)C2.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
The InChIKey is LOULBLDDHSWOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O3S/c1-21(2)16-10-11-22(21,3)19(13-16)24-20(26)15-5-4-12-25(14-15)29(27,28)18-8-6-17(23)7-9-18/h6-9,15-16,19H,4-5,10-14H2,1-3H3,(H,24,26).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide is sourced from PubChem (CID 55413706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).