2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide

C23H26N2O3S — CID 7939015

IUPAC2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H26N2O3S/c24-22(26)20-3-1-2-4-21(20)25-29(27,28)19-7-5-18(6-8-19)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,25H,9-14H2,(H2,24,26)
InChIKeyMTQOECWLPUUZOA-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.05
Rot. Bonds5

About 2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide

2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide (PubChem CID 7939015) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide
PubChem CID7939015
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H26N2O3S/c24-22(26)20-3-1-2-4-21(20)25-29(27,28)19-7-5-18(6-8-19)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,25H,9-14H2,(H2,24,26)
InChIKeyMTQOECWLPUUZOA-UHFFFAOYSA-N
XLogP4.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of 2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide (CID 7939015) is 2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for 2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for 2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide is NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide?
The InChIKey is MTQOECWLPUUZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c24-22(26)20-3-1-2-4-21(20)25-29(27,28)19-7-5-18(6-8-19)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,25H,9-14H2,(H2,24,26).
What are the key properties of 2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide?
2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-adamantyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 7939015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).