N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide

C19H14ClFN2O3S2 — CID 75534018

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide
SMILESNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H14ClFN2O3S2/c20-16-11-12(5-10-17(16)21)23-19(24)15-3-1-2-4-18(15)27-13-6-8-14(9-7-13)28(22,25)26/h1-11H,(H,23,24)(H2,22,25,26)
InChIKeyDHYMWAGDOLHUEZ-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.53
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide

N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide (PubChem CID 75534018) has the molecular formula C19H14ClFN2O3S2 and a molecular weight of 436.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide
PubChem CID75534018
Molecular FormulaC19H14ClFN2O3S2
Molecular Weight436.92 g/mol
Exact Mass436.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide
SMILESNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H14ClFN2O3S2/c20-16-11-12(5-10-17(16)21)23-19(24)15-3-1-2-4-18(15)27-13-6-8-14(9-7-13)28(22,25)26/h1-11H,(H,23,24)(H2,22,25,26)
InChIKeyDHYMWAGDOLHUEZ-UHFFFAOYSA-N
XLogP4.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide 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

2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-sulfamoylbenzamide
CID 121267983
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
2-(3-aminoprop-1-ynyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 60822368
N-(3-chloro-4-fluorophenyl)-9-oxofluorene-1-carboxamide
CID 25234468
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 4781650
N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-methylbenzamide
CID 23100542
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
CID 61132724

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide (CID 75534018) is N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide is NS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide?
The InChIKey is DHYMWAGDOLHUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O3S2/c20-16-11-12(5-10-17(16)21)23-19(24)15-3-1-2-4-18(15)27-13-6-8-14(9-7-13)28(22,25)26/h1-11H,(H,23,24)(H2,22,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide?
N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide has a molecular weight of 436.92 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide is sourced from PubChem (CID 75534018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).