3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide

C14H13BrN2O4S — CID 166186504

IUPAC3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O4S/c1-21-12-7-2-9(14(16)18)8-13(12)22(19,20)17-11-5-3-10(15)4-6-11/h2-8,17H,1H3,(H2,16,18)
InChIKeyAIUWBJMVODFMHN-UHFFFAOYSA-N
MW385.24 g/mol
LogP2.36
Rot. Bonds5

About 3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide

3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide (PubChem CID 166186504) has the molecular formula C14H13BrN2O4S and a molecular weight of 385.24 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
PubChem CID166186504
Molecular FormulaC14H13BrN2O4S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O4S/c1-21-12-7-2-9(14(16)18)8-13(12)22(19,20)17-11-5-3-10(15)4-6-11/h2-8,17H,1H3,(H2,16,18)
InChIKeyAIUWBJMVODFMHN-UHFFFAOYSA-N
XLogP2.36
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
CID 55346445
3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide
CID 30285125
3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide
CID 17480974
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26887067
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide (CID 166186504) is 3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide?
The InChIKey is AIUWBJMVODFMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4S/c1-21-12-7-2-9(14(16)18)8-13(12)22(19,20)17-11-5-3-10(15)4-6-11/h2-8,17H,1H3,(H2,16,18).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide?
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide has a molecular weight of 385.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide is sourced from PubChem (CID 166186504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).