5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide

C9H11BrClNO2S — CID 169108082

IUPAC5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide
SMILESCOc1ccc(Br)cc1S(=O)NCCCl
InChIInChI=1S/C9H11BrClNO2S/c1-14-8-3-2-7(10)6-9(8)15(13)12-5-4-11/h2-3,6,12H,4-5H2,1H3
InChIKeyAZSLOMAWNMLPIM-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.31
Rot. Bonds5

About 5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide

5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide (PubChem CID 169108082) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide
PubChem CID169108082
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC Name5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide
SMILESCOc1ccc(Br)cc1S(=O)NCCCl
InChIInChI=1S/C9H11BrClNO2S/c1-14-8-3-2-7(10)6-9(8)15(13)12-5-4-11/h2-3,6,12H,4-5H2,1H3
InChIKeyAZSLOMAWNMLPIM-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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1-(5-bromo-2-methoxyphenyl)-3-chloropropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide?
The IUPAC name of 5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide (CID 169108082) is 5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide.
What is the SMILES notation for 5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide?
The canonical SMILES for 5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide is COc1ccc(Br)cc1S(=O)NCCCl.
What is the InChIKey of 5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide?
The InChIKey is AZSLOMAWNMLPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-14-8-3-2-7(10)6-9(8)15(13)12-5-4-11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide?
5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide has a molecular weight of 312.62 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide is sourced from PubChem (CID 169108082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).