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

C14H13BrN2O3S — CID 43134004

IUPAC2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2Br)ccc1S(N)(=O)=O
InChIInChI=1S/C14H13BrN2O3S/c1-9-8-10(6-7-13(9)21(16,19)20)17-14(18)11-4-2-3-5-12(11)15/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyGEPKDCBUFKMQJI-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.66
Rot. Bonds3

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

2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide (PubChem CID 43134004) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide
PubChem CID43134004
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2Br)ccc1S(N)(=O)=O
InChIInChI=1S/C14H13BrN2O3S/c1-9-8-10(6-7-13(9)21(16,19)20)17-14(18)11-4-2-3-5-12(11)15/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyGEPKDCBUFKMQJI-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

2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189
3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 107519556
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43246597
4-[(2-methoxybenzoyl)amino]-2-methylbenzenesulfonic acid
CID 139945406
3-methyl-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 62339318
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 2184947
2-cyclopropyl-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 83154940
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide (CID 43134004) is 2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide is Cc1cc(NC(=O)c2ccccc2Br)ccc1S(N)(=O)=O.
What is the InChIKey of 2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide?
The InChIKey is GEPKDCBUFKMQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-9-8-10(6-7-13(9)21(16,19)20)17-14(18)11-4-2-3-5-12(11)15/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide?
2-bromo-N-(3-methyl-4-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 2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 43134004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).