5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide

C15H15BrN2O4S — CID 1017645

IUPAC5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15BrN2O4S/c1-9-7-10(16)8-13(14(9)22-2)15(19)18-11-3-5-12(6-4-11)23(17,20)21/h3-8H,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyMICXQJDSUUMDGV-UHFFFAOYSA-N
MW399.27 g/mol
LogP2.67
Rot. Bonds4

About 5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide

5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide (PubChem CID 1017645) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is 5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide
PubChem CID1017645
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC Name5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15BrN2O4S/c1-9-7-10(16)8-13(14(9)22-2)15(19)18-11-3-5-12(6-4-11)23(17,20)21/h3-8H,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyMICXQJDSUUMDGV-UHFFFAOYSA-N
XLogP2.67
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide (CID 1017645) is 5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide is COc1c(C)cc(Br)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is MICXQJDSUUMDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c1-9-7-10(16)8-13(14(9)22-2)15(19)18-11-3-5-12(6-4-11)23(17,20)21/h3-8H,1-2H3,(H,18,19)(H2,17,20,21).
What are the key properties of 5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide?
5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 399.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 1017645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).