5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride

C11H10BrClFNO4S — CID 82921982

IUPAC5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride
SMILESCN1CCC(Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C1=O
InChIInChI=1S/C11H10BrClFNO4S/c1-15-3-2-8(11(15)16)19-9-5-7(14)10(4-6(9)12)20(13,17)18/h4-5,8H,2-3H2,1H3
InChIKeyMSUSNTVIZOIPSQ-UHFFFAOYSA-N
MW386.63 g/mol
LogP2.13
Rot. Bonds3

About 5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride

5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride (PubChem CID 82921982) has the molecular formula C11H10BrClFNO4S and a molecular weight of 386.63 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride
PubChem CID82921982
Molecular FormulaC11H10BrClFNO4S
Molecular Weight386.63 g/mol
Exact Mass384.92
IUPAC Name5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride
SMILESCN1CCC(Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C1=O
InChIInChI=1S/C11H10BrClFNO4S/c1-15-3-2-8(11(15)16)19-9-5-7(14)10(4-6(9)12)20(13,17)18/h4-5,8H,2-3H2,1H3
InChIKeyMSUSNTVIZOIPSQ-UHFFFAOYSA-N
XLogP2.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Bromo-4-fluorophenoxy)-1-methylpyrrolidin-2-one
CID 64265636
3-(2-Bromo-5-fluorophenoxy)-1-methylpyrrolidin-2-one
CID 81497344
5-Fluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride
CID 82910511
3-Fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonyl chloride
CID 82911077
2,3-Difluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82911543
5-Bromo-2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]benzenesulfonyl chloride
CID 82912588
5-Bromo-4-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-2-fluorobenzenesulfonyl chloride
CID 82912589
5-Bromo-2-fluoro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82912590
5-Bromo-2-fluoro-4-[2-(2-methoxyethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82912591
5-Bromo-2-fluoro-4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82912592
5-Bromo-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-2-fluorobenzenesulfonyl chloride
CID 82912595
5-Bromo-2-fluoro-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82912597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride (CID 82921982) is 5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride is CN1CCC(Oc2cc(F)c(S(=O)(=O)Cl)cc2Br)C1=O.
What is the InChIKey of 5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride?
The InChIKey is MSUSNTVIZOIPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFNO4S/c1-15-3-2-8(11(15)16)19-9-5-7(14)10(4-6(9)12)20(13,17)18/h4-5,8H,2-3H2,1H3.
What are the key properties of 5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride?
5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride has a molecular weight of 386.63 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride is sourced from PubChem (CID 82921982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).