2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C19H17N3O5S2 — CID 1213542

IUPAC2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H17N3O5S2/c23-19(14-28(24,25)16-6-2-1-3-7-16)21-15-9-11-17(12-10-15)29(26,27)22-18-8-4-5-13-20-18/h1-13H,14H2,(H,20,22)(H,21,23)
InChIKeyKSZOFFYILSBTGU-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.29
Rot. Bonds7

About 2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1213542) has the molecular formula C19H17N3O5S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1213542
Molecular FormulaC19H17N3O5S2
Molecular Weight431.50 g/mol
Exact Mass431.06
IUPAC Name2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H17N3O5S2/c23-19(14-28(24,25)16-6-2-1-3-7-16)21-15-9-11-17(12-10-15)29(26,27)22-18-8-4-5-13-20-18/h1-13H,14H2,(H,20,22)(H,21,23)
InChIKeyKSZOFFYILSBTGU-UHFFFAOYSA-N
XLogP2.29
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 1213542) is 2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is KSZOFFYILSBTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S2/c23-19(14-28(24,25)16-6-2-1-3-7-16)21-15-9-11-17(12-10-15)29(26,27)22-18-8-4-5-13-20-18/h1-13H,14H2,(H,20,22)(H,21,23).
What are the key properties of 2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1213542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).