5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide

C13H16N4O4S — CID 146024582

IUPAC5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1C(N)=O
InChIInChI=1S/C13H16N4O4S/c1-21-12-3-2-10(6-11(12)13(14)18)22(19,20)17-5-4-9-7-15-8-16-9/h2-3,6-8,17H,4-5H2,1H3,(H2,14,18)(H,15,16)
InChIKeyZMYIPTXRGXCWOD-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.04
Rot. Bonds7

About 5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide

5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide (PubChem CID 146024582) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide
PubChem CID146024582
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Name5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1C(N)=O
InChIInChI=1S/C13H16N4O4S/c1-21-12-3-2-10(6-11(12)13(14)18)22(19,20)17-5-4-9-7-15-8-16-9/h2-3,6-8,17H,4-5H2,1H3,(H2,14,18)(H,15,16)
InChIKeyZMYIPTXRGXCWOD-UHFFFAOYSA-N
XLogP0.04
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzamide
CID 65231463
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methoxybenzenesulfonamide
CID 65231192
3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 65231514
4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231853
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
CID 65230879
5-[(2-chlorophenyl)methylsulfamoyl]-2-methoxybenzamide
CID 34029898
5-amino-2-ethoxy-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231475
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65231835
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide (CID 146024582) is 5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1C(N)=O.
What is the InChIKey of 5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide?
The InChIKey is ZMYIPTXRGXCWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-21-12-3-2-10(6-11(12)13(14)18)22(19,20)17-5-4-9-7-15-8-16-9/h2-3,6-8,17H,4-5H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide?
5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide has a molecular weight of 324.36 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 146024582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).