2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide

C20H16F2N2O3S2 — CID 18893315

IUPAC2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c1
InChIInChI=1S/C20H16F2N2O3S2/c1-28-14-6-4-5-13(11-14)24-29(26,27)15-9-10-19(18(22)12-15)23-20(25)16-7-2-3-8-17(16)21/h2-12,24H,1H3,(H,23,25)
InChIKeyQHUCMAWFXFVREU-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.74
Rot. Bonds6

About 2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide

2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 18893315) has the molecular formula C20H16F2N2O3S2 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID18893315
Molecular FormulaC20H16F2N2O3S2
Molecular Weight434.49 g/mol
Exact Mass434.06
IUPAC Name2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c1
InChIInChI=1S/C20H16F2N2O3S2/c1-28-14-6-4-5-13(11-14)24-29(26,27)15-9-10-19(18(22)12-15)23-20(25)16-7-2-3-8-17(16)21/h2-12,24H,1H3,(H,23,25)
InChIKeyQHUCMAWFXFVREU-UHFFFAOYSA-N
XLogP4.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 18893279
N-[4-[(3,5-dichlorophenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893289
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893309
N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893361
2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893111
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
CID 18892993
2-fluoro-N-[2-fluoro-4-(3-hydroxypropylsulfamoyl)phenyl]benzamide
CID 18893237
2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893032
2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide
CID 2991974
4-fluoro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18893464

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide (CID 18893315) is 2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide is CSc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c1.
What is the InChIKey of 2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is QHUCMAWFXFVREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3S2/c1-28-14-6-4-5-13(11-14)24-29(26,27)15-9-10-19(18(22)12-15)23-20(25)16-7-2-3-8-17(16)21/h2-12,24H,1H3,(H,23,25).
What are the key properties of 2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 434.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-fluoro-4-[(3-methylsulfanylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18893315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).