3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide

C17H18BrNO5S — CID 4293594

IUPAC3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO5S/c1-23-13-5-8-16(24-2)15(11-13)19-17(20)9-10-25(21,22)14-6-3-12(18)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyJSKMIVQUAPLZGO-UHFFFAOYSA-N
MW428.30 g/mol
LogP3.27
Rot. Bonds7

About 3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 4293594) has the molecular formula C17H18BrNO5S and a molecular weight of 428.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID4293594
Molecular FormulaC17H18BrNO5S
Molecular Weight428.30 g/mol
Exact Mass427.01
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO5S/c1-23-13-5-8-16(24-2)15(11-13)19-17(20)9-10-25(21,22)14-6-3-12(18)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyJSKMIVQUAPLZGO-UHFFFAOYSA-N
XLogP3.27
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-(2,5-dimethoxyphenyl)-2-phenylthio-
CID 532046
3-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)propanamide
CID 4104685
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide
CID 4293409
3-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,5-diethoxyphenyl)propanamide
CID 9551132
N-(2-methoxyphenyl)-3-(phenylsulfonyl)propanamide
CID 758937
3-(4-bromophenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 4109093
2-(benzylsulfonyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 4306505
2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 127051949
2-[(4-bromophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486385
3-(4-bromophenyl)sulfonyl-N-(3,5-dimethoxyphenyl)propanamide
CID 4085381
N-(2,5-diethoxyphenyl)-3-[(4-methylphenyl)sulfonyl]propanamide
CID 4101955

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide (CID 4293594) is 3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is JSKMIVQUAPLZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO5S/c1-23-13-5-8-16(24-2)15(11-13)19-17(20)9-10-25(21,22)14-6-3-12(18)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 428.30 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 4293594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).