N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide

C21H18FNO3S — CID 139261114

IUPACN-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO3S/c1-16-7-13-20(14-8-16)27(25,26)23(15-17-5-3-2-4-6-17)21(24)18-9-11-19(22)12-10-18/h2-14H,15H2,1H3
InChIKeyDWKOCPBTDPBVAR-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.17
Rot. Bonds5

About N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide

N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 139261114) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID139261114
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC NameN-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO3S/c1-16-7-13-20(14-8-16)27(25,26)23(15-17-5-3-2-4-6-17)21(24)18-9-11-19(22)12-10-18/h2-14H,15H2,1H3
InChIKeyDWKOCPBTDPBVAR-UHFFFAOYSA-N
XLogP4.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide (CID 139261114) is N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is DWKOCPBTDPBVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c1-16-7-13-20(14-8-16)27(25,26)23(15-17-5-3-2-4-6-17)21(24)18-9-11-19(22)12-10-18/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 383.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 139261114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).