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

C12H12BrClFNO3S — CID 65367099

IUPAC2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(F)cc(S(=O)(=O)Cl)c1Br)N1CCCCC1
InChIInChI=1S/C12H12BrClFNO3S/c13-11-9(12(17)16-4-2-1-3-5-16)6-8(15)7-10(11)20(14,18)19/h6-7H,1-5H2
InChIKeyLZDYNFGOIGCRFE-UHFFFAOYSA-N
MW384.65 g/mol
LogP3.14
Rot. Bonds2

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

2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65367099) has the molecular formula C12H12BrClFNO3S and a molecular weight of 384.65 g/mol. Its IUPAC name is 2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65367099
Molecular FormulaC12H12BrClFNO3S
Molecular Weight384.65 g/mol
Exact Mass382.94
IUPAC Name2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
SMILESO=C(c1cc(F)cc(S(=O)(=O)Cl)c1Br)N1CCCCC1
InChIInChI=1S/C12H12BrClFNO3S/c13-11-9(12(17)16-4-2-1-3-5-16)6-8(15)7-10(11)20(14,18)19/h6-7H,1-5H2
InChIKeyLZDYNFGOIGCRFE-UHFFFAOYSA-N
XLogP3.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65366904
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
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonyl chloride
CID 65368024
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
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 63929752
(3R)-1-(2-bromo-5-fluoro-3-sulfamoylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125147601
2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367980
2-bromo-3-(cyclopentylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65367953
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride (CID 65367099) is 2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride is O=C(c1cc(F)cc(S(=O)(=O)Cl)c1Br)N1CCCCC1.
What is the InChIKey of 2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is LZDYNFGOIGCRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClFNO3S/c13-11-9(12(17)16-4-2-1-3-5-16)6-8(15)7-10(11)20(14,18)19/h6-7H,1-5H2.
What are the key properties of 2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride?
2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 384.65 g/mol, XLogP of 3.14, 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-(piperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65367099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).