2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C18H17FN4O5S3 — CID 2197822

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H17FN4O5S3/c1-30(25,26)23(15-4-2-3-13(19)11-15)12-17(24)21-14-5-7-16(8-6-14)31(27,28)22-18-20-9-10-29-18/h2-11H,12H2,1H3,(H,20,22)(H,21,24)
InChIKeyGZDAZDGFDSOXKF-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.49
Rot. Bonds8

About 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 2197822) has the molecular formula C18H17FN4O5S3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID2197822
Molecular FormulaC18H17FN4O5S3
Molecular Weight484.56 g/mol
Exact Mass484.03
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H17FN4O5S3/c1-30(25,26)23(15-4-2-3-13(19)11-15)12-17(24)21-14-5-7-16(8-6-14)31(27,28)22-18-20-9-10-29-18/h2-11H,12H2,1H3,(H,20,22)(H,21,24)
InChIKeyGZDAZDGFDSOXKF-UHFFFAOYSA-N
XLogP2.49
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 38014764
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 28634237
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 30391020
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
2-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544010
2-(4-ethyl-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 92680973
2-(3-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2135518
2-(N-methylsulfonyl-3-nitroanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 28564287
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881865
2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470
2-(4-fluoro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879912
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 2197822) is 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is GZDAZDGFDSOXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O5S3/c1-30(25,26)23(15-4-2-3-13(19)11-15)12-17(24)21-14-5-7-16(8-6-14)31(27,28)22-18-20-9-10-29-18/h2-11H,12H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 484.56 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2197822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).