(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride

C7H3BrClF3O2S — CID 117117336

IUPAC(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(F)c(F)c(Br)c1F
InChIInChI=1S/C7H3BrClF3O2S/c8-5-6(11)3(2-15(9,13)14)1-4(10)7(5)12/h1H,2H2
InChIKeyNSDHFPZXQFVBJO-UHFFFAOYSA-N
MW323.52 g/mol
LogP2.93
Rot. Bonds2

About (3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride

(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride (PubChem CID 117117336) has the molecular formula C7H3BrClF3O2S and a molecular weight of 323.52 g/mol. Its IUPAC name is (3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride
PubChem CID117117336
Molecular FormulaC7H3BrClF3O2S
Molecular Weight323.52 g/mol
Exact Mass321.87
IUPAC Name(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(F)c(F)c(Br)c1F
InChIInChI=1S/C7H3BrClF3O2S/c8-5-6(11)3(2-15(9,13)14)1-4(10)7(5)12/h1H,2H2
InChIKeyNSDHFPZXQFVBJO-UHFFFAOYSA-N
XLogP2.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
CID 117490895
[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117462268
(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117490052
1-(3-bromo-2,4,5-trifluorophenyl)propan-2-one
CID 117115023
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
2,3-dibromo-1-(chloromethyl)-4,5-difluorobenzene
CID 130766572
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride
CID 117485801
(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
CID 84806660
(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
CID 84801727
magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide
CID 175033297
(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117458970

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride?
The IUPAC name of (3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride (CID 117117336) is (3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride?
The canonical SMILES for (3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(F)c(F)c(Br)c1F.
What is the InChIKey of (3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride?
The InChIKey is NSDHFPZXQFVBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3O2S/c8-5-6(11)3(2-15(9,13)14)1-4(10)7(5)12/h1H,2H2.
What are the key properties of (3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride?
(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride has a molecular weight of 323.52 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 117117336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).