3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide

C15H14BrNO3S — CID 104852044

IUPAC3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C15H14BrNO3S/c1-10-6-11(8-12(16)7-10)15(18)17-13-4-3-5-14(9-13)21(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyQWALSUGJAUEIKG-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.41
Rot. Bonds3

About 3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide

3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 104852044) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide
PubChem CID104852044
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C15H14BrNO3S/c1-10-6-11(8-12(16)7-10)15(18)17-13-4-3-5-14(9-13)21(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyQWALSUGJAUEIKG-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

3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 86695860
3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
CID 113460579
3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508
3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 104852189
N-[4-[(3-bromobenzoyl)amino]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 46542213
3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
CID 55637881
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
2-amino-4-bromo-N-(3-methylsulfonylphenyl)benzamide
CID 79704730

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide (CID 104852044) is 3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide is Cc1cc(Br)cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is QWALSUGJAUEIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-10-6-11(8-12(16)7-10)15(18)17-13-4-3-5-14(9-13)21(2,19)20/h3-9H,1-2H3,(H,17,18).
What are the key properties of 3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide?
3-bromo-5-methyl-N-(3-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 3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 104852044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).