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

C20H20N4O6S3 — CID 2130259

IUPAC4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H20N4O6S3/c25-19(15-1-5-18(6-2-15)33(28,29)24-10-12-30-13-11-24)22-16-3-7-17(8-4-16)32(26,27)23-20-21-9-14-31-20/h1-9,14H,10-13H2,(H,21,23)(H,22,25)
InChIKeyWUDWHMYRTPEBLR-UHFFFAOYSA-N
MW508.60 g/mol
LogP2.22
Rot. Bonds7

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

4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2130259) has the molecular formula C20H20N4O6S3 and a molecular weight of 508.60 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2130259
Molecular FormulaC20H20N4O6S3
Molecular Weight508.60 g/mol
Exact Mass508.05
IUPAC Name4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H20N4O6S3/c25-19(15-1-5-18(6-2-15)33(28,29)24-10-12-30-13-11-24)22-16-3-7-17(8-4-16)32(26,27)23-20-21-9-14-31-20/h1-9,14H,10-13H2,(H,21,23)(H,22,25)
InChIKeyWUDWHMYRTPEBLR-UHFFFAOYSA-N
XLogP2.22
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 2130259) is 4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is WUDWHMYRTPEBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6S3/c25-19(15-1-5-18(6-2-15)33(28,29)24-10-12-30-13-11-24)22-16-3-7-17(8-4-16)32(26,27)23-20-21-9-14-31-20/h1-9,14H,10-13H2,(H,21,23)(H,22,25).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 508.60 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2130259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).