4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

C21H18F2N2O5S2 — CID 55471919

IUPAC4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2)cc1
InChIInChI=1S/C21H18F2N2O5S2/c1-14-2-10-19(11-3-14)32(29,30)25-17-8-6-16(7-9-17)24-20(26)15-4-12-18(13-5-15)31(27,28)21(22)23/h2-13,21,25H,1H3,(H,24,26)
InChIKeyTWDYTLZMXVOBRF-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.04
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 55471919) has the molecular formula C21H18F2N2O5S2 and a molecular weight of 480.51 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
PubChem CID55471919
Molecular FormulaC21H18F2N2O5S2
Molecular Weight480.51 g/mol
Exact Mass480.06
IUPAC Name4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2)cc1
InChIInChI=1S/C21H18F2N2O5S2/c1-14-2-10-19(11-3-14)32(29,30)25-17-8-6-16(7-9-17)24-20(26)15-4-12-18(13-5-15)31(27,28)21(22)23/h2-13,21,25H,1H3,(H,24,26)
InChIKeyTWDYTLZMXVOBRF-UHFFFAOYSA-N
XLogP4.04
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2454469
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (CID 55471919) is 4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is TWDYTLZMXVOBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O5S2/c1-14-2-10-19(11-3-14)32(29,30)25-17-8-6-16(7-9-17)24-20(26)15-4-12-18(13-5-15)31(27,28)21(22)23/h2-13,21,25H,1H3,(H,24,26).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 480.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 55471919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).