N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide

C26H26FN3O4S — CID 55699978

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C26H26FN3O4S/c1-29(21-9-3-2-4-10-21)35(33,34)22-11-7-8-19(18-22)25(31)28-20-14-16-30(17-15-20)26(32)23-12-5-6-13-24(23)27/h2-13,18,20H,14-17H2,1H3,(H,28,31)
InChIKeyGLOYARNBPSXTEI-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.69
Rot. Bonds6

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 55699978) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID55699978
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C26H26FN3O4S/c1-29(21-9-3-2-4-10-21)35(33,34)22-11-7-8-19(18-22)25(31)28-20-14-16-30(17-15-20)26(32)23-12-5-6-13-24(23)27/h2-13,18,20H,14-17H2,1H3,(H,28,31)
InChIKeyGLOYARNBPSXTEI-UHFFFAOYSA-N
XLogP3.69
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554387
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46476979
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-(4-bromophenyl)-4-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]amino]piperidine-1-carboxamide
CID 166352036
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 139010906
ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 31542226
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385924
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2331661
4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
CID 32507574

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide (CID 55699978) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is GLOYARNBPSXTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c1-29(21-9-3-2-4-10-21)35(33,34)22-11-7-8-19(18-22)25(31)28-20-14-16-30(17-15-20)26(32)23-12-5-6-13-24(23)27/h2-13,18,20H,14-17H2,1H3,(H,28,31).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 495.58 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55699978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).