N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide

C14H13BrN2O4S — CID 7964867

IUPACN-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O4S/c1-21-13-7-6-11(22(16,19)20)8-12(13)14(18)17-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyPIYTVWGTGGGCNF-UHFFFAOYSA-N
MW385.24 g/mol
LogP2.36
Rot. Bonds4

About N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide

N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide (PubChem CID 7964867) has the molecular formula C14H13BrN2O4S and a molecular weight of 385.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
PubChem CID7964867
Molecular FormulaC14H13BrN2O4S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC NameN-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O4S/c1-21-13-7-6-11(22(16,19)20)8-12(13)14(18)17-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyPIYTVWGTGGGCNF-UHFFFAOYSA-N
XLogP2.36
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 26864927
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide
CID 9453672
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094210
5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17094279
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide (CID 7964867) is N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is PIYTVWGTGGGCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4S/c1-21-13-7-6-11(22(16,19)20)8-12(13)14(18)17-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide?
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 385.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 7964867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).