N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C19H27FN2O3S — CID 2059107

IUPACN-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O3S/c20-16-7-9-18(10-8-16)26(24,25)22-13-11-15(12-14-22)19(23)21-17-5-3-1-2-4-6-17/h7-10,15,17H,1-6,11-14H2,(H,21,23)
InChIKeyXUPNQXNYRAHPEM-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.07
Rot. Bonds4

About N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 2059107) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID2059107
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O3S/c20-16-7-9-18(10-8-16)26(24,25)22-13-11-15(12-14-22)19(23)21-17-5-3-1-2-4-6-17/h7-10,15,17H,1-6,11-14H2,(H,21,23)
InChIKeyXUPNQXNYRAHPEM-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 2059107) is N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XUPNQXNYRAHPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c20-16-7-9-18(10-8-16)26(24,25)22-13-11-15(12-14-22)19(23)21-17-5-3-1-2-4-6-17/h7-10,15,17H,1-6,11-14H2,(H,21,23).
What are the key properties of N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2059107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).