N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C21H25FN2O3S — CID 3702946

IUPACN-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1
InChIInChI=1S/C21H25FN2O3S/c1-3-16-4-6-17(7-5-16)23-21(25)19-14-18(8-9-20(19)22)28(26,27)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)
InChIKeyMWDBEWTYEVWEJW-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.06
Rot. Bonds5

About N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 3702946) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID3702946
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1
InChIInChI=1S/C21H25FN2O3S/c1-3-16-4-6-17(7-5-16)23-21(25)19-14-18(8-9-20(19)22)28(26,27)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)
InChIKeyMWDBEWTYEVWEJW-UHFFFAOYSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide 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-bromophenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4193185
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075
N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087257
N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 8833039
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882758
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
CID 43030164
2-chloro-N-[1-(4-ethylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 133209970
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
N-(4-ethylphenyl)-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99966889
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 3702946) is N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is MWDBEWTYEVWEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-3-16-4-6-17(7-5-16)23-21(25)19-14-18(8-9-20(19)22)28(26,27)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 3702946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).