N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide

C15H14F2N2O5S2 — CID 2454469

IUPACN-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C15H14F2N2O5S2/c1-10(20)18-11-2-8-14(9-3-11)26(23,24)19-12-4-6-13(7-5-12)25(21,22)15(16)17/h2-9,15,19H,1H3,(H,18,20)
InChIKeyXRHKHCNDMAKAGI-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.44
Rot. Bonds6

About N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 2454469) has the molecular formula C15H14F2N2O5S2 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID2454469
Molecular FormulaC15H14F2N2O5S2
Molecular Weight404.42 g/mol
Exact Mass404.03
IUPAC NameN-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C15H14F2N2O5S2/c1-10(20)18-11-2-8-14(9-3-11)26(23,24)19-12-4-6-13(7-5-12)25(21,22)15(16)17/h2-9,15,19H,1H3,(H,18,20)
InChIKeyXRHKHCNDMAKAGI-UHFFFAOYSA-N
XLogP2.44
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
CID 5193248
N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
CID 47301190
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
CID 43455286
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 97030412

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide (CID 2454469) is N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1.
What is the InChIKey of N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is XRHKHCNDMAKAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O5S2/c1-10(20)18-11-2-8-14(9-3-11)26(23,24)19-12-4-6-13(7-5-12)25(21,22)15(16)17/h2-9,15,19H,1H3,(H,18,20).
What are the key properties of N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 404.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2454469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).