2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide

C17H18BrNO3S — CID 42962647

IUPAC2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO3S/c1-12-3-5-14(6-4-12)11-19-17(20)13(2)23(21,22)16-9-7-15(18)8-10-16/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyFWDUORDHORSLSH-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide

2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 42962647) has the molecular formula C17H18BrNO3S and a molecular weight of 396.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
PubChem CID42962647
Molecular FormulaC17H18BrNO3S
Molecular Weight396.31 g/mol
Exact Mass395.02
IUPAC Name2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO3S/c1-12-3-5-14(6-4-12)11-19-17(20)13(2)23(21,22)16-9-7-15(18)8-10-16/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyFWDUORDHORSLSH-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55959373
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
2-(4-bromophenyl)sulfonylpentan-3-one
CID 64866533
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55812284
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide
CID 22943507
1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 47032733

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide (CID 42962647) is 2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is FWDUORDHORSLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S/c1-12-3-5-14(6-4-12)11-19-17(20)13(2)23(21,22)16-9-7-15(18)8-10-16/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide?
2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 396.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 42962647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).