N-benzyl-2-methoxy-5-sulfamoylbenzamide

C15H16N2O4S — CID 827282

IUPACN-benzyl-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C15H16N2O4S/c1-21-14-8-7-12(22(16,19)20)9-13(14)15(18)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyKKQMTVANOUSGIO-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.27
Rot. Bonds5

About N-benzyl-2-methoxy-5-sulfamoylbenzamide

N-benzyl-2-methoxy-5-sulfamoylbenzamide (PubChem CID 827282) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-benzyl-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-5-sulfamoylbenzamide
PubChem CID827282
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-benzyl-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C15H16N2O4S/c1-21-14-8-7-12(22(16,19)20)9-13(14)15(18)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyKKQMTVANOUSGIO-UHFFFAOYSA-N
XLogP1.27
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 9495729
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 171979954
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 55349817
3-[(N-benzylanilino)carbamoyl]-4-methoxybenzenesulfonamide
CID 9206573
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
CID 77090238
N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55947717
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 31233255

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-benzyl-2-methoxy-5-sulfamoylbenzamide (CID 827282) is N-benzyl-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-benzyl-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-benzyl-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is KKQMTVANOUSGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-21-14-8-7-12(22(16,19)20)9-13(14)15(18)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-benzyl-2-methoxy-5-sulfamoylbenzamide?
N-benzyl-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 320.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 827282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).