2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide

C21H22FN5O5S2 — CID 38004489

IUPAC2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccccc1F
InChIInChI=1S/C21H22FN5O5S2/c1-26(2)34(31,32)27(20-8-4-3-7-19(20)22)15-21(28)24-16-9-11-18(12-10-16)33(29,30)25-17-6-5-13-23-14-17/h3-14,25H,15H2,1-2H3,(H,24,28)
InChIKeyDSAFEAWDQWLPRB-UHFFFAOYSA-N
MW507.57 g/mol
LogP2.27
Rot. Bonds9

About 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide (PubChem CID 38004489) has the molecular formula C21H22FN5O5S2 and a molecular weight of 507.57 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
PubChem CID38004489
Molecular FormulaC21H22FN5O5S2
Molecular Weight507.57 g/mol
Exact Mass507.10
IUPAC Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccccc1F
InChIInChI=1S/C21H22FN5O5S2/c1-26(2)34(31,32)27(20-8-4-3-7-19(20)22)15-21(28)24-16-9-11-18(12-10-16)33(29,30)25-17-6-5-13-23-14-17/h3-14,25H,15H2,1-2H3,(H,24,28)
InChIKeyDSAFEAWDQWLPRB-UHFFFAOYSA-N
XLogP2.27
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 46771539
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99955420
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
2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 38014764
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92685375
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99943258
N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 53283595
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43910550
N-[4-(diethylaminomethyl)phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909013
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880803
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43907781

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide (CID 38004489) is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccccc1F.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The InChIKey is DSAFEAWDQWLPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O5S2/c1-26(2)34(31,32)27(20-8-4-3-7-19(20)22)15-21(28)24-16-9-11-18(12-10-16)33(29,30)25-17-6-5-13-23-14-17/h3-14,25H,15H2,1-2H3,(H,24,28).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide has a molecular weight of 507.57 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 38004489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).