5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride

C10H10BrCl2NO4S — CID 82909959

IUPAC5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESCN(C)C(=O)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H10BrCl2NO4S/c1-14(2)9(15)5-18-10-7(12)3-6(11)4-8(10)19(13,16)17/h3-4H,5H2,1-2H3
InChIKeyGGTRVIVPYNCYGT-UHFFFAOYSA-N
MW391.07 g/mol
LogP2.50
Rot. Bonds4

About 5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride

5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride (PubChem CID 82909959) has the molecular formula C10H10BrCl2NO4S and a molecular weight of 391.07 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
PubChem CID82909959
Molecular FormulaC10H10BrCl2NO4S
Molecular Weight391.07 g/mol
Exact Mass388.89
IUPAC Name5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESCN(C)C(=O)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H10BrCl2NO4S/c1-14(2)9(15)5-18-10-7(12)3-6(11)4-8(10)19(13,16)17/h3-4H,5H2,1-2H3
InChIKeyGGTRVIVPYNCYGT-UHFFFAOYSA-N
XLogP2.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.07
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride (CID 82909959) is 5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride is CN(C)C(=O)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The InChIKey is GGTRVIVPYNCYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NO4S/c1-14(2)9(15)5-18-10-7(12)3-6(11)4-8(10)19(13,16)17/h3-4H,5H2,1-2H3.
What are the key properties of 5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride has a molecular weight of 391.07 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82909959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).