(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride

C8H7ClF2O4S2 — CID 117490052

IUPAC(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
SMILESCS(=O)(=O)c1cc(F)c(F)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H7ClF2O4S2/c1-16(12,13)6-2-5(4-17(9,14)15)8(11)7(10)3-6/h2-3H,4H2,1H3
InChIKeyQVVSBLHPYCRLGF-UHFFFAOYSA-N
MW304.72 g/mol
LogP1.44
Rot. Bonds3

About (2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride

(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride (PubChem CID 117490052) has the molecular formula C8H7ClF2O4S2 and a molecular weight of 304.72 g/mol. Its IUPAC name is (2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
PubChem CID117490052
Molecular FormulaC8H7ClF2O4S2
Molecular Weight304.72 g/mol
Exact Mass303.94
IUPAC Name(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
SMILESCS(=O)(=O)c1cc(F)c(F)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H7ClF2O4S2/c1-16(12,13)6-2-5(4-17(9,14)15)8(11)7(10)3-6/h2-3H,4H2,1H3
InChIKeyQVVSBLHPYCRLGF-UHFFFAOYSA-N
XLogP1.44
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375869
[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117462268
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378649
2-ethyl-6-fluoro-4-methylsulfonylaniline
CID 126485252
(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride
CID 117117336
(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481135
2-[(2,3-difluoro-5-methylsulfonylphenyl)methyl]piperidine
CID 117467481
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
CID 117490895
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378642
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375876
(3-chloro-2-fluoro-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117458970

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride?
The IUPAC name of (2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride (CID 117490052) is (2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride is CS(=O)(=O)c1cc(F)c(F)c(CS(=O)(=O)Cl)c1.
What is the InChIKey of (2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride?
The InChIKey is QVVSBLHPYCRLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O4S2/c1-16(12,13)6-2-5(4-17(9,14)15)8(11)7(10)3-6/h2-3H,4H2,1H3.
What are the key properties of (2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride?
(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride has a molecular weight of 304.72 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117490052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).