N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide

C12H16BrNO6S — CID 71888734

IUPACN-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
SMILESCOc1cc(Br)c(S(=O)(=O)NC(=O)C(C)OC)cc1OC
InChIInChI=1S/C12H16BrNO6S/c1-7(18-2)12(15)14-21(16,17)11-6-10(20-4)9(19-3)5-8(11)13/h5-7H,1-4H3,(H,14,15)
InChIKeyHZNFPMIVYKKGCH-UHFFFAOYSA-N
MW382.23 g/mol
LogP1.31
Rot. Bonds6

About N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide

N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide (PubChem CID 71888734) has the molecular formula C12H16BrNO6S and a molecular weight of 382.23 g/mol. Its IUPAC name is N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
PubChem CID71888734
Molecular FormulaC12H16BrNO6S
Molecular Weight382.23 g/mol
Exact Mass380.99
IUPAC NameN-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
SMILESCOc1cc(Br)c(S(=O)(=O)NC(=O)C(C)OC)cc1OC
InChIInChI=1S/C12H16BrNO6S/c1-7(18-2)12(15)14-21(16,17)11-6-10(20-4)9(19-3)5-8(11)13/h5-7H,1-4H3,(H,14,15)
InChIKeyHZNFPMIVYKKGCH-UHFFFAOYSA-N
XLogP1.31
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide?
The IUPAC name of N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide (CID 71888734) is N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide.
What is the SMILES notation for N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide?
The canonical SMILES for N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide is COc1cc(Br)c(S(=O)(=O)NC(=O)C(C)OC)cc1OC.
What is the InChIKey of N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide?
The InChIKey is HZNFPMIVYKKGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO6S/c1-7(18-2)12(15)14-21(16,17)11-6-10(20-4)9(19-3)5-8(11)13/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide?
N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide has a molecular weight of 382.23 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide is sourced from PubChem (CID 71888734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).