3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide

C16H16BrNO3S — CID 1343016

IUPAC3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO3S/c1-12-3-2-4-14(11-12)18-16(19)9-10-22(20,21)15-7-5-13(17)6-8-15/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyXCJROLJYWZINOQ-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.56
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide (PubChem CID 1343016) has the molecular formula C16H16BrNO3S and a molecular weight of 382.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide
PubChem CID1343016
Molecular FormulaC16H16BrNO3S
Molecular Weight382.28 g/mol
Exact Mass381.00
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO3S/c1-12-3-2-4-14(11-12)18-16(19)9-10-22(20,21)15-7-5-13(17)6-8-15/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyXCJROLJYWZINOQ-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
3-(4-Bromobenzenesulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 3456802
3-(4-bromophenyl)sulfonyl-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 4109100
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)sulfonyl]propanamide
CID 4293410
4-{3-[(4-Bromophenyl)sulfonyl]propanoyl}-2-methyl-1-(3-methylphenyl)piperazine
CID 4293414
N-(4-bromophenyl)-1-[(4-methylphenyl)sulfonyl]cyclopropanecarboxamide
CID 16194204
3-[(5-bromo-2-thienyl)sulfonyl]-N-(o-tolyl)propionamide
CID 15992306
N-(4-bromo-2-methylphenyl)-3-phenylsulfanylpropanamide
CID 1252378
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonyl]propanamide
CID 1303359
N-(4-bromo-3-methylphenyl)-3-(phenylthio)propanamide
CID 1338487
2-[(4-bromobenzyl)thio]-N-[2-(methylthio)phenyl]acetamide
CID 2301837
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 4639270

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide (CID 1343016) is 3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide?
The InChIKey is XCJROLJYWZINOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S/c1-12-3-2-4-14(11-12)18-16(19)9-10-22(20,21)15-7-5-13(17)6-8-15/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide 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 3-(4-bromophenyl)sulfonyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 1343016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).