N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide

C15H14BrFN2O4S — CID 55947717

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O4S/c1-23-14-5-3-11(24(18,21)22)7-12(14)15(20)19-8-9-6-10(17)2-4-13(9)16/h2-7H,8H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyUFCJOKUMEGRYNF-UHFFFAOYSA-N
MW417.26 g/mol
LogP2.17
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide

N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 55947717) has the molecular formula C15H14BrFN2O4S and a molecular weight of 417.26 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID55947717
Molecular FormulaC15H14BrFN2O4S
Molecular Weight417.26 g/mol
Exact Mass415.98
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O4S/c1-23-14-5-3-11(24(18,21)22)7-12(14)15(20)19-8-9-6-10(17)2-4-13(9)16/h2-7H,8H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyUFCJOKUMEGRYNF-UHFFFAOYSA-N
XLogP2.17
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 55349817
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 31233255
3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7964817
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 9495729
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide (CID 55947717) is N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is UFCJOKUMEGRYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O4S/c1-23-14-5-3-11(24(18,21)22)7-12(14)15(20)19-8-9-6-10(17)2-4-13(9)16/h2-7H,8H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide?
N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 417.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 55947717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).