3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C18H17N3O5S3 — CID 2162576

IUPAC3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H17N3O5S3/c22-17(10-13-28(23,24)15-4-2-1-3-5-15)20-14-6-8-16(9-7-14)29(25,26)21-18-19-11-12-27-18/h1-9,11-12H,10,13H2,(H,19,21)(H,20,22)
InChIKeyFSAJBAHXYBTEKV-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.75
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 2162576) has the molecular formula C18H17N3O5S3 and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID2162576
Molecular FormulaC18H17N3O5S3
Molecular Weight451.55 g/mol
Exact Mass451.03
IUPAC Name3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H17N3O5S3/c22-17(10-13-28(23,24)15-4-2-1-3-5-15)20-14-6-8-16(9-7-14)29(25,26)21-18-19-11-12-27-18/h1-9,11-12H,10,13H2,(H,19,21)(H,20,22)
InChIKeyFSAJBAHXYBTEKV-UHFFFAOYSA-N
XLogP2.75
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 2162576) is 3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is FSAJBAHXYBTEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S3/c22-17(10-13-28(23,24)15-4-2-1-3-5-15)20-14-6-8-16(9-7-14)29(25,26)21-18-19-11-12-27-18/h1-9,11-12H,10,13H2,(H,19,21)(H,20,22).
What are the key properties of 3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 451.55 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2162576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).