2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride

C11H10BrClFNO3S — CID 65366904

IUPAC2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(F)cc(S(=O)(=O)Cl)c1Br)N1CCCC1
InChIInChI=1S/C11H10BrClFNO3S/c12-10-8(11(16)15-3-1-2-4-15)5-7(14)6-9(10)19(13,17)18/h5-6H,1-4H2
InChIKeyVJDRUYLOCODYQO-UHFFFAOYSA-N
MW370.63 g/mol
LogP2.75
Rot. Bonds2

About 2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride

2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65366904) has the molecular formula C11H10BrClFNO3S and a molecular weight of 370.63 g/mol. Its IUPAC name is 2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65366904
Molecular FormulaC11H10BrClFNO3S
Molecular Weight370.63 g/mol
Exact Mass368.92
IUPAC Name2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(F)cc(S(=O)(=O)Cl)c1Br)N1CCCC1
InChIInChI=1S/C11H10BrClFNO3S/c12-10-8(11(16)15-3-1-2-4-15)5-7(14)6-9(10)19(13,17)18/h5-6H,1-4H2
InChIKeyVJDRUYLOCODYQO-UHFFFAOYSA-N
XLogP2.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367099
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367201
3-(azepane-1-carbonyl)-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65367533
2-(azepane-1-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 60876776
2-bromo-5-fluoro-3-(3-methoxypyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 103540926
5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65367050
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonyl chloride
CID 65368024
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 63929752
2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367980
2-bromo-3-(cyclopentylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65367953
(3R)-1-(2-bromo-5-fluoro-3-sulfamoylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125147601
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride (CID 65366904) is 2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride is O=C(c1cc(F)cc(S(=O)(=O)Cl)c1Br)N1CCCC1.
What is the InChIKey of 2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is VJDRUYLOCODYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFNO3S/c12-10-8(11(16)15-3-1-2-4-15)5-7(14)6-9(10)19(13,17)18/h5-6H,1-4H2.
What are the key properties of 2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 370.63 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65366904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).