N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide

C20H23FN2O3S — CID 17256852

IUPACN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-2-18-8-3-4-13-23(18)27(25,26)19-11-9-17(10-12-19)22-20(24)15-6-5-7-16(21)14-15/h5-7,9-12,14,18H,2-4,8,13H2,1H3,(H,22,24)
InChIKeyNNCAVUJSDYOKJP-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.03
Rot. Bonds5

About N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide (PubChem CID 17256852) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
PubChem CID17256852
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-2-18-8-3-4-13-23(18)27(25,26)19-11-9-17(10-12-19)22-20(24)15-6-5-7-16(21)14-15/h5-7,9-12,14,18H,2-4,8,13H2,1H3,(H,22,24)
InChIKeyNNCAVUJSDYOKJP-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide 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

3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546
3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4664347
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 6467830
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17256634
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 7234238
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide (CID 17256852) is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide is CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide?
The InChIKey is NNCAVUJSDYOKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-2-18-8-3-4-13-23(18)27(25,26)19-11-9-17(10-12-19)22-20(24)15-6-5-7-16(21)14-15/h5-7,9-12,14,18H,2-4,8,13H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide?
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide has a molecular weight of 390.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide is sourced from PubChem (CID 17256852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).