3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride

C10H10Br2ClNO4S — CID 82910242

IUPAC3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
SMILESCNC(=O)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C10H10Br2ClNO4S/c1-14-9(15)2-3-18-10-7(11)4-6(5-8(10)12)19(13,16)17/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyAJGMIJHUBVDQBQ-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.65
Rot. Bonds5

About 3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride

3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride (PubChem CID 82910242) has the molecular formula C10H10Br2ClNO4S and a molecular weight of 435.52 g/mol. Its IUPAC name is 3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
PubChem CID82910242
Molecular FormulaC10H10Br2ClNO4S
Molecular Weight435.52 g/mol
Exact Mass432.84
IUPAC Name3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
SMILESCNC(=O)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C10H10Br2ClNO4S/c1-14-9(15)2-3-18-10-7(11)4-6(5-8(10)12)19(13,16)17/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyAJGMIJHUBVDQBQ-UHFFFAOYSA-N
XLogP2.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 61057682
3,5-dibromo-4-ethoxybenzenesulfonyl chloride
CID 43134474
3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 62326726
4-[3-(methylamino)-3-oxopropoxy]-3-propan-2-ylbenzenesulfonyl chloride
CID 82909574
3,5-dibromo-4-(3-ethoxypropoxy)benzenesulfonyl chloride
CID 65176689
3,5-dibromo-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 115942390
4-[3-(ethylamino)-3-oxopropoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921179
3-[2,6-dibromo-4-[3,5-dibromo-4-(2-carboxyethoxy)phenyl]sulfonylphenoxy]propanoic acid
CID 101288486
3,5-dibromo-4-(3-methoxy-3-methylbutoxy)benzenesulfonyl chloride
CID 103020676
3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 62325547
3,5-dibromo-4-[2-(diethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82913649
3-chloro-4-[4-(methylamino)-4-oxobutoxy]benzenesulfonyl chloride
CID 82916549

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride?
The IUPAC name of 3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride (CID 82910242) is 3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride?
The canonical SMILES for 3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride is CNC(=O)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride?
The InChIKey is AJGMIJHUBVDQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2ClNO4S/c1-14-9(15)2-3-18-10-7(11)4-6(5-8(10)12)19(13,16)17/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride?
3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride has a molecular weight of 435.52 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82910242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).