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

C14H13BrN2O3S — CID 81459721

IUPAC3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1Br
InChIInChI=1S/C14H13BrN2O3S/c1-9-6-7-10(8-11(9)15)14(18)17-12-4-2-3-5-13(12)21(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyDQMZYQSALZBYFB-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.66
Rot. Bonds3

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

3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide (PubChem CID 81459721) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
PubChem CID81459721
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1Br
InChIInChI=1S/C14H13BrN2O3S/c1-9-6-7-10(8-11(9)15)14(18)17-12-4-2-3-5-13(12)21(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyDQMZYQSALZBYFB-UHFFFAOYSA-N
XLogP2.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561
2-methyl-N-(2-sulfamoylphenyl)benzamide
CID 61130901
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
CID 71982585
3-bromo-4-methyl-N-methylsulfonylbenzamide
CID 123841069

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide (CID 81459721) is 3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide?
The InChIKey is DQMZYQSALZBYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-9-6-7-10(8-11(9)15)14(18)17-12-4-2-3-5-13(12)21(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide?
3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide has a molecular weight of 369.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide is sourced from PubChem (CID 81459721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).