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

C25H18F2N2O3S2 — CID 18893521

IUPAC4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1F)c1ccc(F)cc1
InChIInChI=1S/C25H18F2N2O3S2/c26-18-12-10-17(11-13-18)25(30)28-22-15-14-20(16-21(22)27)34(31,32)29-23-8-4-5-9-24(23)33-19-6-2-1-3-7-19/h1-16,29H,(H,28,30)
InChIKeyKFQCFDVBMPIPRB-UHFFFAOYSA-N
MW496.56 g/mol
LogP6.17
Rot. Bonds7

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

4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 18893521) has the molecular formula C25H18F2N2O3S2 and a molecular weight of 496.56 g/mol. Its IUPAC name is 4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID18893521
Molecular FormulaC25H18F2N2O3S2
Molecular Weight496.56 g/mol
Exact Mass496.07
IUPAC Name4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1F)c1ccc(F)cc1
InChIInChI=1S/C25H18F2N2O3S2/c26-18-12-10-17(11-13-18)25(30)28-22-15-14-20(16-21(22)27)34(31,32)29-23-8-4-5-9-24(23)33-19-6-2-1-3-7-19/h1-16,29H,(H,28,30)
InChIKeyKFQCFDVBMPIPRB-UHFFFAOYSA-N
XLogP6.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893032
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
4-fluoro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18893464
4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 18893459
N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
CID 5025961
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
4-chloro-N-[4-[(2,6-difluorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892640
3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide (CID 18893521) is 4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1F)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is KFQCFDVBMPIPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O3S2/c26-18-12-10-17(11-13-18)25(30)28-22-15-14-20(16-21(22)27)34(31,32)29-23-8-4-5-9-24(23)33-19-6-2-1-3-7-19/h1-16,29H,(H,28,30).
What are the key properties of 4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide?
4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 496.56 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18893521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).