2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide

C22H22FN3O5S2 — CID 22305356

IUPAC2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)CNc3cccc(F)c3S(C)(=O)=O)cc2)c1
InChIInChI=1S/C22H22FN3O5S2/c1-15-5-3-6-17(13-15)26-33(30,31)18-11-9-16(10-12-18)25-21(27)14-24-20-8-4-7-19(23)22(20)32(2,28)29/h3-13,24,26H,14H2,1-2H3,(H,25,27)
InChIKeyTXMZOLAGFIXWFO-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.39
Rot. Bonds8

About 2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide

2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 22305356) has the molecular formula C22H22FN3O5S2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID22305356
Molecular FormulaC22H22FN3O5S2
Molecular Weight491.57 g/mol
Exact Mass491.10
IUPAC Name2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)CNc3cccc(F)c3S(C)(=O)=O)cc2)c1
InChIInChI=1S/C22H22FN3O5S2/c1-15-5-3-6-17(13-15)26-33(30,31)18-11-9-16(10-12-18)25-21(27)14-24-20-8-4-7-19(23)22(20)32(2,28)29/h3-13,24,26H,14H2,1-2H3,(H,25,27)
InChIKeyTXMZOLAGFIXWFO-UHFFFAOYSA-N
XLogP3.39
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoro-2-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22307564
2-(3-fluoro-2-methylsulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 22305201
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-methylsulfonylanilino)acetamide
CID 22305328
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880803
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-ethoxy-3-methylsulfonylanilino)acetamide
CID 22304961
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 22304063
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 107592106
N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
CID 20705319
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 30390096

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide (CID 22305356) is 2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide is Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CNc3cccc(F)c3S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is TXMZOLAGFIXWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O5S2/c1-15-5-3-6-17(13-15)26-33(30,31)18-11-9-16(10-12-18)25-21(27)14-24-20-8-4-7-19(23)22(20)32(2,28)29/h3-13,24,26H,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide?
2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 491.57 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22305356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).