2-(benzenesulfonyl)-N-benzhydrylacetamide

C21H19NO3S — CID 2991466

IUPAC2-(benzenesulfonyl)-N-benzhydrylacetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3S/c23-20(16-26(24,25)19-14-8-3-9-15-19)22-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,22,23)
InChIKeyNHJPACPOCNCOGS-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.37
Rot. Bonds6

About 2-(benzenesulfonyl)-N-benzhydrylacetamide

2-(benzenesulfonyl)-N-benzhydrylacetamide (PubChem CID 2991466) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-benzhydrylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-benzhydrylacetamide
PubChem CID2991466
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name2-(benzenesulfonyl)-N-benzhydrylacetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3S/c23-20(16-26(24,25)19-14-8-3-9-15-19)22-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,22,23)
InChIKeyNHJPACPOCNCOGS-UHFFFAOYSA-N
XLogP3.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-benzhydrylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-benzhydrylacetamide (CID 2991466) is 2-(benzenesulfonyl)-N-benzhydrylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-benzhydrylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-benzhydrylacetamide is O=C(CS(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-benzhydrylacetamide?
The InChIKey is NHJPACPOCNCOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c23-20(16-26(24,25)19-14-8-3-9-15-19)22-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,22,23).
What are the key properties of 2-(benzenesulfonyl)-N-benzhydrylacetamide?
2-(benzenesulfonyl)-N-benzhydrylacetamide has a molecular weight of 365.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-benzhydrylacetamide is sourced from PubChem (CID 2991466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).