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

C22H27FN2O3S — CID 8025714

IUPACN-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-2-3-4-17-5-9-20(10-6-17)24-22(26)18-13-15-25(16-14-18)29(27,28)21-11-7-19(23)8-12-21/h5-12,18H,2-4,13-16H2,1H3,(H,24,26)
InChIKeyHKERHJYULQVDQI-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.21
Rot. Bonds7

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

N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 8025714) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID8025714
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27FN2O3S/c1-2-3-4-17-5-9-20(10-6-17)24-22(26)18-13-15-25(16-14-18)29(27,28)21-11-7-19(23)8-12-21/h5-12,18H,2-4,13-16H2,1H3,(H,24,26)
InChIKeyHKERHJYULQVDQI-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
N-[3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652408
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 9078108
N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 34033203
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
1-(4-fluorophenyl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 56559263
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 8025714) is N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HKERHJYULQVDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-2-3-4-17-5-9-20(10-6-17)24-22(26)18-13-15-25(16-14-18)29(27,28)21-11-7-19(23)8-12-21/h5-12,18H,2-4,13-16H2,1H3,(H,24,26).
What are the key properties of N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 8025714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).