N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide

C22H22ClFN4O5S2 — CID 46771539

IUPACN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1F
InChIInChI=1S/C22H22ClFN4O5S2/c1-27(2)35(32,33)28(21-9-4-3-8-20(21)24)15-22(29)25-17-10-12-19(13-11-17)34(30,31)26-18-7-5-6-16(23)14-18/h3-14,26H,15H2,1-2H3,(H,25,29)
InChIKeyZSGZGKXCTKUONR-UHFFFAOYSA-N
MW541.03 g/mol
LogP3.53
Rot. Bonds9

About N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide (PubChem CID 46771539) has the molecular formula C22H22ClFN4O5S2 and a molecular weight of 541.03 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
PubChem CID46771539
Molecular FormulaC22H22ClFN4O5S2
Molecular Weight541.03 g/mol
Exact Mass540.07
IUPAC NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1F
InChIInChI=1S/C22H22ClFN4O5S2/c1-27(2)35(32,33)28(21-9-4-3-8-20(21)24)15-22(29)25-17-10-12-19(13-11-17)34(30,31)26-18-7-5-6-16(23)14-18/h3-14,26H,15H2,1-2H3,(H,25,29)
InChIKeyZSGZGKXCTKUONR-UHFFFAOYSA-N
XLogP3.53
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.03
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99955420
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 38004489
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880803
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 4210454
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 28634237
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46771829
N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 53283595
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92685375
N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 18891046
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43882420
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126416913
N-[4-(diethylaminomethyl)phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909013

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide (CID 46771539) is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide is CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1F.
What is the InChIKey of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The InChIKey is ZSGZGKXCTKUONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O5S2/c1-27(2)35(32,33)28(21-9-4-3-8-20(21)24)15-22(29)25-17-10-12-19(13-11-17)34(30,31)26-18-7-5-6-16(23)14-18/h3-14,26H,15H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide has a molecular weight of 541.03 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide is sourced from PubChem (CID 46771539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).