N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide

C16H16BrNO3S — CID 1303359

IUPACN-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO3S/c1-12-2-8-15(9-3-12)22(20,21)11-10-16(19)18-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyYILDQKBQKSDJGE-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.56
Rot. Bonds5

About N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 1303359) has the molecular formula C16H16BrNO3S and a molecular weight of 382.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID1303359
Molecular FormulaC16H16BrNO3S
Molecular Weight382.28 g/mol
Exact Mass381.00
IUPAC NameN-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO3S/c1-12-2-8-15(9-3-12)22(20,21)11-10-16(19)18-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyYILDQKBQKSDJGE-UHFFFAOYSA-N
XLogP3.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
1-[(4-methylphenyl)sulfonyl]-N-[3-(methylthio)phenyl]cyclopropanecarboxamide
CID 6621576
3-(4-bromophenyl)sulfonyl-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 4109100
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)sulfonyl]propanamide
CID 4293410
N-(4-bromophenyl)-1-[(4-methylphenyl)sulfonyl]cyclopropanecarboxamide
CID 16194204
3-[(5-bromo-2-thienyl)sulfonyl]-N-(o-tolyl)propionamide
CID 15992306
N-(4-((4-methylphenyl)sulfonyl)phenyl)acetamide
CID 272502
2-(4-methylphenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 977816
N-(4-bromo-2-methylphenyl)-3-phenylsulfanylpropanamide
CID 1252378
N-(4-bromo-3-methylphenyl)-3-(phenylthio)propanamide
CID 1338487
(E)-N-(4-bromo-2-fluorophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 2087148
2-[(4-bromobenzyl)thio]-N-[2-(methylthio)phenyl]acetamide
CID 2301837

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 1303359) is N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is YILDQKBQKSDJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S/c1-12-2-8-15(9-3-12)22(20,21)11-10-16(19)18-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 382.28 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 1303359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).