3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide

C21H17N3O4S — CID 55973067

IUPAC3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C21H17N3O4S/c22-12-13-28-19-9-5-7-17(15-19)23-21(25)16-6-4-8-18(14-16)24-29(26,27)20-10-2-1-3-11-20/h1-11,14-15,24H,13H2,(H,23,25)
InChIKeyFMGAVIFQFVDUNK-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.64
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide

3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide (PubChem CID 55973067) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
PubChem CID55973067
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C21H17N3O4S/c22-12-13-28-19-9-5-7-17(15-19)23-21(25)16-6-4-8-18(14-16)24-29(26,27)20-10-2-1-3-11-20/h1-11,14-15,24H,13H2,(H,23,25)
InChIKeyFMGAVIFQFVDUNK-UHFFFAOYSA-N
XLogP3.64
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369723
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43708780
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
3-(benzenesulfonamidomethoxy)-N-phenylbenzamide
CID 70244588
3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738706
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738756
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
[3-(cyanomethoxy)phenyl]urea
CID 43369607
2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
CID 103754604
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55960868

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide (CID 55973067) is 3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide is N#CCOc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide?
The InChIKey is FMGAVIFQFVDUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c22-12-13-28-19-9-5-7-17(15-19)23-21(25)16-6-4-8-18(14-16)24-29(26,27)20-10-2-1-3-11-20/h1-11,14-15,24H,13H2,(H,23,25).
What are the key properties of 3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide?
3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide has a molecular weight of 407.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide is sourced from PubChem (CID 55973067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).