N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide

C14H11BrClNO3S — CID 103480003

IUPACN-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C14H11BrClNO3S/c1-21(19,20)10-5-2-4-9(8-10)14(18)17-12-7-3-6-11(16)13(12)15/h2-8H,1H3,(H,17,18)
InChIKeyIFLGJUNRTRXZLE-UHFFFAOYSA-N
MW388.67 g/mol
LogP3.76
Rot. Bonds3

About N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide

N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide (PubChem CID 103480003) has the molecular formula C14H11BrClNO3S and a molecular weight of 388.67 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
PubChem CID103480003
Molecular FormulaC14H11BrClNO3S
Molecular Weight388.67 g/mol
Exact Mass386.93
IUPAC NameN-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C14H11BrClNO3S/c1-21(19,20)10-5-2-4-9(8-10)14(18)17-12-7-3-6-11(16)13(12)15/h2-8H,1H3,(H,17,18)
InChIKeyIFLGJUNRTRXZLE-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

N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylsulfonylbenzamide
CID 102979236
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide (CID 103480003) is N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2Br)c1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide?
The InChIKey is IFLGJUNRTRXZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3S/c1-21(19,20)10-5-2-4-9(8-10)14(18)17-12-7-3-6-11(16)13(12)15/h2-8H,1H3,(H,17,18).
What are the key properties of N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide?
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide 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 N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 103480003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).