(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride

C7H4BrClF2O2S — CID 117490895

IUPAC(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(F)cc(Br)c1F
InChIInChI=1S/C7H4BrClF2O2S/c8-6-2-5(10)1-4(7(6)11)3-14(9,12)13/h1-2H,3H2
InChIKeyNCFVCCRAVCYBAS-UHFFFAOYSA-N
MW305.53 g/mol
LogP2.80
Rot. Bonds2

About (3-bromo-2,5-difluorophenyl)methanesulfonyl chloride

(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride (PubChem CID 117490895) has the molecular formula C7H4BrClF2O2S and a molecular weight of 305.53 g/mol. Its IUPAC name is (3-bromo-2,5-difluorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
PubChem CID117490895
Molecular FormulaC7H4BrClF2O2S
Molecular Weight305.53 g/mol
Exact Mass303.88
IUPAC Name(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(F)cc(Br)c1F
InChIInChI=1S/C7H4BrClF2O2S/c8-6-2-5(10)1-4(7(6)11)3-14(9,12)13/h1-2H,3H2
InChIKeyNCFVCCRAVCYBAS-UHFFFAOYSA-N
XLogP2.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride
CID 117117336
3-bromo-2,5-difluorobenzenesulfonyl chloride
CID 54379847
(3-bromo-2,5-difluorophenyl)methanol
CID 66657412
1,2-dibromo-3-ethyl-5-fluorobenzene
CID 118830275
(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117490052
[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117462268
[2-(dimethylamino)-5-fluorophenyl]methanesulfonyl chloride
CID 117382497
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117458970
(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride
CID 117485801
3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride
CID 84715523
(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
CID 84806660

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,5-difluorophenyl)methanesulfonyl chloride?
The IUPAC name of (3-bromo-2,5-difluorophenyl)methanesulfonyl chloride (CID 117490895) is (3-bromo-2,5-difluorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-bromo-2,5-difluorophenyl)methanesulfonyl chloride?
The canonical SMILES for (3-bromo-2,5-difluorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(F)cc(Br)c1F.
What is the InChIKey of (3-bromo-2,5-difluorophenyl)methanesulfonyl chloride?
The InChIKey is NCFVCCRAVCYBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2O2S/c8-6-2-5(10)1-4(7(6)11)3-14(9,12)13/h1-2H,3H2.
What are the key properties of (3-bromo-2,5-difluorophenyl)methanesulfonyl chloride?
(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride has a molecular weight of 305.53 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,5-difluorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 117490895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).