5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride

C11H13BrClNO4S — CID 82910581

IUPAC5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
SMILESCCN(C)C(=O)COc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H13BrClNO4S/c1-3-14(2)11(15)7-18-9-5-4-8(12)6-10(9)19(13,16)17/h4-6H,3,7H2,1-2H3
InChIKeyRCXDWYDRQXXGSI-UHFFFAOYSA-N
MW370.65 g/mol
LogP2.23
Rot. Bonds5

About 5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride

5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride (PubChem CID 82910581) has the molecular formula C11H13BrClNO4S and a molecular weight of 370.65 g/mol. Its IUPAC name is 5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
PubChem CID82910581
Molecular FormulaC11H13BrClNO4S
Molecular Weight370.65 g/mol
Exact Mass368.94
IUPAC Name5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
SMILESCCN(C)C(=O)COc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H13BrClNO4S/c1-3-14(2)11(15)7-18-9-5-4-8(12)6-10(9)19(13,16)17/h4-6H,3,7H2,1-2H3
InChIKeyRCXDWYDRQXXGSI-UHFFFAOYSA-N
XLogP2.23
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82921083
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932238
2-(4-bromo-2-carbamothioylphenoxy)-N-ethyl-N-methylacetamide
CID 83146158
5-bromo-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910923
5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921081
(E)-3-[5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 43309807
2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82910026
5-bromo-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910919
2-(4-bromo-2-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380862
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 102947741
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride (CID 82910581) is 5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride is CCN(C)C(=O)COc1ccc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride?
The InChIKey is RCXDWYDRQXXGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO4S/c1-3-14(2)11(15)7-18-9-5-4-8(12)6-10(9)19(13,16)17/h4-6H,3,7H2,1-2H3.
What are the key properties of 5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride?
5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride has a molecular weight of 370.65 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82910581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).