5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride

C9H8BrCl2FO3S — CID 81106546

IUPAC5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCCCF
InChIInChI=1S/C9H8BrCl2FO3S/c10-6-4-7(11)9(16-3-1-2-13)8(5-6)17(12,14)15/h4-5H,1-3H2
InChIKeyDLKRGDYYKOSMQE-UHFFFAOYSA-N
MW366.04 g/mol
LogP3.77
Rot. Bonds5

About 5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride

5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride (PubChem CID 81106546) has the molecular formula C9H8BrCl2FO3S and a molecular weight of 366.04 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride
PubChem CID81106546
Molecular FormulaC9H8BrCl2FO3S
Molecular Weight366.04 g/mol
Exact Mass363.87
IUPAC Name5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCCCF
InChIInChI=1S/C9H8BrCl2FO3S/c10-6-4-7(11)9(16-3-1-2-13)8(5-6)17(12,14)15/h4-5H,1-3H2
InChIKeyDLKRGDYYKOSMQE-UHFFFAOYSA-N
XLogP3.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.04
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 115942381
5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride
CID 82910287
5-bromo-2-(2-butoxyethoxy)-3-chlorobenzenesulfonyl chloride
CID 61483068
5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide
CID 80694291
5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride
CID 65457787
5-bromo-3-chloro-2-pentoxybenzenesulfonamide
CID 43164418
5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
CID 82910206
5-bromo-3-chloro-2-(oxan-4-ylmethoxy)benzenesulfonyl chloride
CID 62386935
5-bromo-3-methyl-2-octoxybenzenesulfonyl chloride
CID 63495664
5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481199
5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene
CID 148761209
5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
CID 43164414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride (CID 81106546) is 5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCCCF.
What is the InChIKey of 5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride?
The InChIKey is DLKRGDYYKOSMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2FO3S/c10-6-4-7(11)9(16-3-1-2-13)8(5-6)17(12,14)15/h4-5H,1-3H2.
What are the key properties of 5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride?
5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride has a molecular weight of 366.04 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride is sourced from PubChem (CID 81106546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).