2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide

C26H22FN3O5S2 — CID 43880207

IUPAC2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C26H22FN3O5S2/c27-20-11-13-22(14-12-20)29-36(32,33)24-17-15-21(16-18-24)28-26(31)19-30(23-7-3-1-4-8-23)37(34,35)25-9-5-2-6-10-25/h1-18,29H,19H2,(H,28,31)
InChIKeyDJGFABRBVQMSMT-UHFFFAOYSA-N
MW539.61 g/mol
LogP4.46
Rot. Bonds9

About 2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43880207) has the molecular formula C26H22FN3O5S2 and a molecular weight of 539.61 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
PubChem CID43880207
Molecular FormulaC26H22FN3O5S2
Molecular Weight539.61 g/mol
Exact Mass539.10
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C26H22FN3O5S2/c27-20-11-13-22(14-12-20)29-36(32,33)24-17-15-21(16-18-24)28-26(31)19-30(23-7-3-1-4-8-23)37(34,35)25-9-5-2-6-10-25/h1-18,29H,19H2,(H,28,31)
InChIKeyDJGFABRBVQMSMT-UHFFFAOYSA-N
XLogP4.46
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.61
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881103
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43882365
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881710
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289283
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43882332
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126177951
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 3428326
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100511409
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43880133
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1288293
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880636

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide (CID 43880207) is 2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is DJGFABRBVQMSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O5S2/c27-20-11-13-22(14-12-20)29-36(32,33)24-17-15-21(16-18-24)28-26(31)19-30(23-7-3-1-4-8-23)37(34,35)25-9-5-2-6-10-25/h1-18,29H,19H2,(H,28,31).
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 539.61 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43880207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).