3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide

C14H11BrClNO3S — CID 103983155

IUPAC3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C14H11BrClNO3S/c1-21(19,20)12-8-3-2-7-11(12)17-14(18)9-5-4-6-10(15)13(9)16/h2-8H,1H3,(H,17,18)
InChIKeyFCBDQFMMTXMSCI-UHFFFAOYSA-N
MW388.67 g/mol
LogP3.76
Rot. Bonds3

About 3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide

3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide (PubChem CID 103983155) has the molecular formula C14H11BrClNO3S and a molecular weight of 388.67 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide
PubChem CID103983155
Molecular FormulaC14H11BrClNO3S
Molecular Weight388.67 g/mol
Exact Mass386.93
IUPAC Name3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C14H11BrClNO3S/c1-21(19,20)12-8-3-2-7-11(12)17-14(18)9-5-4-6-10(15)13(9)16/h2-8H,1H3,(H,17,18)
InChIKeyFCBDQFMMTXMSCI-UHFFFAOYSA-N
XLogP3.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.67
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-N-(2-propylphenyl)benzamide
CID 103988574
2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide
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CID 41448766
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide
CID 18082595
3-bromo-2-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103988714
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103988699
2-methyl-N-(2-sulfamoylphenyl)benzamide
CID 61130901

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide (CID 103983155) is 3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1ccccc1NC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide?
The InChIKey is FCBDQFMMTXMSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3S/c1-21(19,20)12-8-3-2-7-11(12)17-14(18)9-5-4-6-10(15)13(9)16/h2-8H,1H3,(H,17,18).
What are the key properties of 3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide?
3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide has a molecular weight of 388.67 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 103983155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).