2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide

C28H26FN3O5S2 — CID 43881710

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H26FN3O5S2/c1-20-7-6-8-21(2)28(20)31-38(34,35)25-17-13-23(14-18-25)30-27(33)19-32(24-15-11-22(29)12-16-24)39(36,37)26-9-4-3-5-10-26/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeyMAOAGQIYRRVGDM-UHFFFAOYSA-N
MW567.66 g/mol
LogP5.08
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43881710) has the molecular formula C28H26FN3O5S2 and a molecular weight of 567.66 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43881710
Molecular FormulaC28H26FN3O5S2
Molecular Weight567.66 g/mol
Exact Mass567.13
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H26FN3O5S2/c1-20-7-6-8-21(2)28(20)31-38(34,35)25-17-13-23(14-18-25)30-27(33)19-32(24-15-11-22(29)12-16-24)39(36,37)26-9-4-3-5-10-26/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeyMAOAGQIYRRVGDM-UHFFFAOYSA-N
XLogP5.08
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.66
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43882365
2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880207
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43882327
N-(2,6-dimethylphenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289243
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881103
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881113
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 5214646
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 3428326
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879946
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2420389

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide (CID 43881710) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is MAOAGQIYRRVGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O5S2/c1-20-7-6-8-21(2)28(20)31-38(34,35)25-17-13-23(14-18-25)30-27(33)19-32(24-15-11-22(29)12-16-24)39(36,37)26-9-4-3-5-10-26/h3-18,31H,19H2,1-2H3,(H,30,33).
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 567.66 g/mol, XLogP of 5.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).