2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C24H20FN5O5S2 — CID 43910550

IUPAC2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C24H20FN5O5S2/c25-21-9-4-5-10-22(21)30(37(34,35)20-7-2-1-3-8-20)17-23(31)28-18-11-13-19(14-12-18)36(32,33)29-24-26-15-6-16-27-24/h1-16H,17H2,(H,28,31)(H,26,27,29)
InChIKeyAUXTXJBYIUIXRR-UHFFFAOYSA-N
MW541.59 g/mol
LogP3.25
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 43910550) has the molecular formula C24H20FN5O5S2 and a molecular weight of 541.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID43910550
Molecular FormulaC24H20FN5O5S2
Molecular Weight541.59 g/mol
Exact Mass541.09
IUPAC Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C24H20FN5O5S2/c25-21-9-4-5-10-22(21)30(37(34,35)20-7-2-1-3-8-20)17-23(31)28-18-11-13-19(14-12-18)36(32,33)29-24-26-15-6-16-27-24/h1-16H,17H2,(H,28,31)(H,26,27,29)
InChIKeyAUXTXJBYIUIXRR-UHFFFAOYSA-N
XLogP3.25
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.59
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43907663
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43880458
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43915486
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 99942452
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-ethoxyphenyl)acetamide
CID 1098100
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880803
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880310
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 46764787
2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880207
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 28634237
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 30264759
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 38004489

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 43910550) is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is AUXTXJBYIUIXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O5S2/c25-21-9-4-5-10-22(21)30(37(34,35)20-7-2-1-3-8-20)17-23(31)28-18-11-13-19(14-12-18)36(32,33)29-24-26-15-6-16-27-24/h1-16H,17H2,(H,28,31)(H,26,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 541.59 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 43910550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).