2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide

C15H14BrNO3S — CID 81003356

IUPAC2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H14BrNO3S/c1-10-3-8-14(16)13(9-10)15(18)17-11-4-6-12(7-5-11)21(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyJNDIHTPXRLUTIC-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.41
Rot. Bonds3

About 2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide

2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide (PubChem CID 81003356) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
PubChem CID81003356
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H14BrNO3S/c1-10-3-8-14(16)13(9-10)15(18)17-11-4-6-12(7-5-11)21(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyJNDIHTPXRLUTIC-UHFFFAOYSA-N
XLogP3.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
5-bromo-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 59807934
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 80973223
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
2-amino-4-bromo-N-(4-methylsulfonylphenyl)benzamide
CID 79704047
2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide (CID 81003356) is 2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide is Cc1ccc(Br)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide?
The InChIKey is JNDIHTPXRLUTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-10-3-8-14(16)13(9-10)15(18)17-11-4-6-12(7-5-11)21(2,19)20/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide?
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide has a molecular weight of 368.25 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 81003356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).