N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C19H27FN2O3S — CID 26516405

IUPACN-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H27FN2O3S/c20-17-9-5-6-10-18(17)26(24,25)22-13-11-15(12-14-22)19(23)21-16-7-3-1-2-4-8-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,21,23)
InChIKeyHVADKTSKJVNKBF-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.07
Rot. Bonds4

About N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26516405) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26516405
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H27FN2O3S/c20-17-9-5-6-10-18(17)26(24,25)22-13-11-15(12-14-22)19(23)21-16-7-3-1-2-4-8-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,21,23)
InChIKeyHVADKTSKJVNKBF-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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Related Compounds

N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
3-(benzenesulfonamido)-N-(4-methylcyclohexyl)propanamide
CID 24687507
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
N-Cycloheptyl-1-((2,4-dimethylphenyl)sulfonyl)piperidine-4-carboxamide
CID 26711777
2,2-Dimethyl-N-[1-(3-trifluoromethyl-benzenesulfonyl)-piperidin-4-yl]-propionamide
CID 646229
N-[1-(3-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 646527
1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 651280
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 26516405) is N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HVADKTSKJVNKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c20-17-9-5-6-10-18(17)26(24,25)22-13-11-15(12-14-22)19(23)21-16-7-3-1-2-4-8-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,21,23).
What are the key properties of N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(2-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-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26516405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).