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

C11H10BrClFNO3S — CID 65367050

IUPAC5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(Br)cc(S(=O)(=O)Cl)c1F)N1CCCC1
InChIInChI=1S/C11H10BrClFNO3S/c12-7-5-8(11(16)15-3-1-2-4-15)10(14)9(6-7)19(13,17)18/h5-6H,1-4H2
InChIKeyPDJRGJDABZPZCY-UHFFFAOYSA-N
MW370.63 g/mol
LogP2.75
Rot. Bonds2

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

5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65367050) has the molecular formula C11H10BrClFNO3S and a molecular weight of 370.63 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65367050
Molecular FormulaC11H10BrClFNO3S
Molecular Weight370.63 g/mol
Exact Mass368.92
IUPAC Name5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(Br)cc(S(=O)(=O)Cl)c1F)N1CCCC1
InChIInChI=1S/C11H10BrClFNO3S/c12-7-5-8(11(16)15-3-1-2-4-15)10(14)9(6-7)19(13,17)18/h5-6H,1-4H2
InChIKeyPDJRGJDABZPZCY-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride (CID 65367050) is 5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride is O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1F)N1CCCC1.
What is the InChIKey of 5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is PDJRGJDABZPZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFNO3S/c12-7-5-8(11(16)15-3-1-2-4-15)10(14)9(6-7)19(13,17)18/h5-6H,1-4H2.
What are the key properties of 5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride?
5-bromo-2-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 5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65367050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).