N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide

C17H18BrNO3S — CID 4101952

IUPACN-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H18BrNO3S/c1-12-3-6-15(7-4-12)23(21,22)10-9-17(20)19-16-8-5-14(18)11-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyUPHLIHBWAZCMIW-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.87
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 4101952) has the molecular formula C17H18BrNO3S and a molecular weight of 396.31 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID4101952
Molecular FormulaC17H18BrNO3S
Molecular Weight396.31 g/mol
Exact Mass395.02
IUPAC NameN-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H18BrNO3S/c1-12-3-6-15(7-4-12)23(21,22)10-9-17(20)19-16-8-5-14(18)11-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyUPHLIHBWAZCMIW-UHFFFAOYSA-N
XLogP3.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 3360808
3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 18159015
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649
N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101953
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
CID 110417830
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
CID 167944439
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 4101952) is N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is UPHLIHBWAZCMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S/c1-12-3-6-15(7-4-12)23(21,22)10-9-17(20)19-16-8-5-14(18)11-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 396.31 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 4101952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).