4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide

C17H15BrClNO3S — CID 15603087

IUPAC4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC(=O)c2ccc(Br)cc2Cl)c(C)c1
InChIInChI=1S/C17H15BrClNO3S/c1-11-3-4-13(12(2)9-11)7-8-24(22,23)20-17(21)15-6-5-14(18)10-16(15)19/h3-10H,1-2H3,(H,20,21)/b8-7+
InChIKeyUWRVDHOQHJOJTF-BQYQJAHWSA-N
MW428.74 g/mol
LogP4.45
Rot. Bonds4

About 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide

4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide (PubChem CID 15603087) has the molecular formula C17H15BrClNO3S and a molecular weight of 428.74 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide
PubChem CID15603087
Molecular FormulaC17H15BrClNO3S
Molecular Weight428.74 g/mol
Exact Mass426.96
IUPAC Name4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC(=O)c2ccc(Br)cc2Cl)c(C)c1
InChIInChI=1S/C17H15BrClNO3S/c1-11-3-4-13(12(2)9-11)7-8-24(22,23)20-17(21)15-6-5-14(18)10-16(15)19/h3-10H,1-2H3,(H,20,21)/b8-7+
InChIKeyUWRVDHOQHJOJTF-BQYQJAHWSA-N
XLogP4.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.74
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide
CID 69431995
N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 69433800
4-bromo-2-chloro-N-(2-pyridin-3-ylethenylsulfonyl)benzamide
CID 68978371
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide
CID 15603191
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide
CID 69433232
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
CID 68979051
N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
CID 53267510
4-bromo-2-chlorobenzamide;(E)-2-(2-chlorophenyl)ethenesulfonic acid
CID 87701258

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide?
The IUPAC name of 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide (CID 15603087) is 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide is Cc1ccc(/C=C/S(=O)(=O)NC(=O)c2ccc(Br)cc2Cl)c(C)c1.
What is the InChIKey of 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide?
The InChIKey is UWRVDHOQHJOJTF-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15BrClNO3S/c1-11-3-4-13(12(2)9-11)7-8-24(22,23)20-17(21)15-6-5-14(18)10-16(15)19/h3-10H,1-2H3,(H,20,21)/b8-7+.
What are the key properties of 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide?
4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide has a molecular weight of 428.74 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide is sourced from PubChem (CID 15603087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).