4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C20H19FN4O6S3 — CID 2093058

IUPAC4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19FN4O6S3/c21-17-6-1-14(13-18(17)34(29,30)25-8-10-31-11-9-25)19(26)23-15-2-4-16(5-3-15)33(27,28)24-20-22-7-12-32-20/h1-7,12-13H,8-11H2,(H,22,24)(H,23,26)
InChIKeyVAKDVAAZZLCNMS-UHFFFAOYSA-N
MW526.59 g/mol
LogP2.36
Rot. Bonds7

About 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2093058) has the molecular formula C20H19FN4O6S3 and a molecular weight of 526.59 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2093058
Molecular FormulaC20H19FN4O6S3
Molecular Weight526.59 g/mol
Exact Mass526.05
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19FN4O6S3/c21-17-6-1-14(13-18(17)34(29,30)25-8-10-31-11-9-25)19(26)23-15-2-4-16(5-3-15)33(27,28)24-20-22-7-12-32-20/h1-7,12-13H,8-11H2,(H,22,24)(H,23,26)
InChIKeyVAKDVAAZZLCNMS-UHFFFAOYSA-N
XLogP2.36
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.59
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,2-Diphenyl-N-(4-(1,3-thiazol-2-ylsulfamoyl)phenyl)acetamide
CID 998021
3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 1080629
3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4853713
3-phenyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 1115153
N-[4-(thiazol-2-ylsulfamoyl)phenyl]-2-[[2-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]disulfanyl]benzamide
CID 471787
4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide
CID 1982030
3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2115997
4-(4-morpholinylsulfonyl)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide
CID 2130259
4-[3-(4-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide
CID 3107107
4-(morpholinosulfonyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 3235655
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 3244619
3-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butan-2-yl]benzamide
CID 4355749

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 2093058) is 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is VAKDVAAZZLCNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O6S3/c21-17-6-1-14(13-18(17)34(29,30)25-8-10-31-11-9-25)19(26)23-15-2-4-16(5-3-15)33(27,28)24-20-22-7-12-32-20/h1-7,12-13H,8-11H2,(H,22,24)(H,23,26).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 526.59 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2093058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).