N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide

C23H19N3O3S — CID 993367

IUPACN-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C23H19N3O3S/c27-23(25-16-17-7-2-1-3-8-17)19-10-4-12-20(15-19)26-30(28,29)21-13-5-9-18-11-6-14-24-22(18)21/h1-15,26H,16H2,(H,25,27)
InChIKeyXRARGGSYOJANCQ-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.97
Rot. Bonds6

About N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide

N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 993367) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID993367
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C23H19N3O3S/c27-23(25-16-17-7-2-1-3-8-17)19-10-4-12-20(15-19)26-30(28,29)21-13-5-9-18-11-6-14-24-22(18)21/h1-15,26H,16H2,(H,25,27)
InChIKeyXRARGGSYOJANCQ-UHFFFAOYSA-N
XLogP3.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide (CID 993367) is N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide is O=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1.
What is the InChIKey of N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is XRARGGSYOJANCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-23(25-16-17-7-2-1-3-8-17)19-10-4-12-20(15-19)26-30(28,29)21-13-5-9-18-11-6-14-24-22(18)21/h1-15,26H,16H2,(H,25,27).
What are the key properties of N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide?
N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 417.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 993367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).