N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide

C18H14N4O4S — CID 109065841

IUPACN-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)no1
InChIInChI=1S/C18H14N4O4S/c1-12-8-17(21-26-12)22-27(24,25)16-7-3-5-14(10-16)18(23)20-15-6-2-4-13(9-15)11-19/h2-10H,1H3,(H,20,23)(H,21,22)
InChIKeyPJYKZJOJVVCQCJ-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.91
Rot. Bonds5

About N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide

N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide (PubChem CID 109065841) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
PubChem CID109065841
Molecular FormulaC18H14N4O4S
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC NameN-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)no1
InChIInChI=1S/C18H14N4O4S/c1-12-8-17(21-26-12)22-27(24,25)16-7-3-5-14(10-16)18(23)20-15-6-2-4-13(9-15)11-19/h2-10H,1H3,(H,20,23)(H,21,22)
InChIKeyPJYKZJOJVVCQCJ-UHFFFAOYSA-N
XLogP2.91
TPSA125.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164276
N-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 27229043
3-N-(3-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109078
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 9414207
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-phenylbenzamide
CID 109061637
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 27257413
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenoxybenzamide
CID 2141409
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 108797463
3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 2095364
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
The IUPAC name of N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide (CID 109065841) is N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide is Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)no1.
What is the InChIKey of N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
The InChIKey is PJYKZJOJVVCQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S/c1-12-8-17(21-26-12)22-27(24,25)16-7-3-5-14(10-16)18(23)20-15-6-2-4-13(9-15)11-19/h2-10H,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide has a molecular weight of 382.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 109065841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).