2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide

C25H18ClFN2O3S2 — CID 18893032

IUPAC2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1F)c1ccccc1Cl
InChIInChI=1S/C25H18ClFN2O3S2/c26-20-11-5-4-10-19(20)25(30)28-22-15-14-18(16-21(22)27)34(31,32)29-23-12-6-7-13-24(23)33-17-8-2-1-3-9-17/h1-16,29H,(H,28,30)
InChIKeyPYJGDTJLQKZFDD-UHFFFAOYSA-N
MW513.02 g/mol
LogP6.68
Rot. Bonds7

About 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide

2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 18893032) has the molecular formula C25H18ClFN2O3S2 and a molecular weight of 513.02 g/mol. Its IUPAC name is 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID18893032
Molecular FormulaC25H18ClFN2O3S2
Molecular Weight513.02 g/mol
Exact Mass512.04
IUPAC Name2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1F)c1ccccc1Cl
InChIInChI=1S/C25H18ClFN2O3S2/c26-20-11-5-4-10-19(20)25(30)28-22-15-14-18(16-21(22)27)34(31,32)29-23-12-6-7-13-24(23)33-17-8-2-1-3-9-17/h1-16,29H,(H,28,30)
InChIKeyPYJGDTJLQKZFDD-UHFFFAOYSA-N
XLogP6.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.02
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide 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

4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893521
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
CID 18892993
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide
CID 18893036
2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide
CID 18893027
2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide
CID 18893127
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
N-[4-[(3,5-dichlorophenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893289
2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893315

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide (CID 18893032) is 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1F)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is PYJGDTJLQKZFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN2O3S2/c26-20-11-5-4-10-19(20)25(30)28-22-15-14-18(16-21(22)27)34(31,32)29-23-12-6-7-13-24(23)33-17-8-2-1-3-9-17/h1-16,29H,(H,28,30).
What are the key properties of 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 513.02 g/mol, XLogP of 6.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18893032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).