2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide

C21H18Cl2FN3O5S2 — CID 43881865

IUPAC2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H18Cl2FN3O5S2/c1-33(29,30)27(19-11-14(22)10-15(23)12-19)13-21(28)25-17-6-8-20(9-7-17)34(31,32)26-18-4-2-16(24)3-5-18/h2-12,26H,13H2,1H3,(H,25,28)
InChIKeyIKJWECFMENTKEZ-UHFFFAOYSA-N
MW546.43 g/mol
LogP4.34
Rot. Bonds8

About 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide

2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43881865) has the molecular formula C21H18Cl2FN3O5S2 and a molecular weight of 546.43 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
PubChem CID43881865
Molecular FormulaC21H18Cl2FN3O5S2
Molecular Weight546.43 g/mol
Exact Mass545.00
IUPAC Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H18Cl2FN3O5S2/c1-33(29,30)27(19-11-14(22)10-15(23)12-19)13-21(28)25-17-6-8-20(9-7-17)34(31,32)26-18-4-2-16(24)3-5-18/h2-12,26H,13H2,1H3,(H,25,28)
InChIKeyIKJWECFMENTKEZ-UHFFFAOYSA-N
XLogP4.34
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43882152
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881393
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 126416272
2-(4-fluoro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879912
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 18891040
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881444
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 30391020
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 28589406
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880636
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide (CID 43881865) is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is IKJWECFMENTKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN3O5S2/c1-33(29,30)27(19-11-14(22)10-15(23)12-19)13-21(28)25-17-6-8-20(9-7-17)34(31,32)26-18-4-2-16(24)3-5-18/h2-12,26H,13H2,1H3,(H,25,28).
What are the key properties of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide?
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 546.43 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43881865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).