(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride

C7H4Cl2F2O2S — CID 84806660

IUPAC(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(F)c(Cl)c1F
InChIInChI=1S/C7H4Cl2F2O2S/c8-6-5(10)2-1-4(7(6)11)3-14(9,12)13/h1-2H,3H2
InChIKeyCKJCDCMPRKWKRR-UHFFFAOYSA-N
MW261.08 g/mol
LogP2.69
Rot. Bonds2

About (3-chloro-2,4-difluorophenyl)methanesulfonyl chloride

(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride (PubChem CID 84806660) has the molecular formula C7H4Cl2F2O2S and a molecular weight of 261.08 g/mol. Its IUPAC name is (3-chloro-2,4-difluorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
PubChem CID84806660
Molecular FormulaC7H4Cl2F2O2S
Molecular Weight261.08 g/mol
Exact Mass259.93
IUPAC Name(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(F)c(Cl)c1F
InChIInChI=1S/C7H4Cl2F2O2S/c8-6-5(10)2-1-4(7(6)11)3-14(9,12)13/h1-2H,3H2
InChIKeyCKJCDCMPRKWKRR-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
(3,4-difluoro-2-hydroxyphenyl)methanesulfonyl chloride
CID 84801727
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959
2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride
CID 84809280
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
(5-chloro-2-iodophenyl)methanesulfonyl chloride
CID 130841670
(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117380021
2-chloro-1-(chloromethyl)-4-fluorobenzene;(2-chloro-4-fluorophenyl)methanesulfonyl chloride
CID 159873600
(3-fluoro-4-pyridinyl)methanesulfonyl chloride
CID 84677272
(3-bromo-2,4,5-trifluorophenyl)methanesulfonyl chloride
CID 117117336
2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride
CID 84805405
(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117490052

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,4-difluorophenyl)methanesulfonyl chloride?
The IUPAC name of (3-chloro-2,4-difluorophenyl)methanesulfonyl chloride (CID 84806660) is (3-chloro-2,4-difluorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-chloro-2,4-difluorophenyl)methanesulfonyl chloride?
The canonical SMILES for (3-chloro-2,4-difluorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(F)c(Cl)c1F.
What is the InChIKey of (3-chloro-2,4-difluorophenyl)methanesulfonyl chloride?
The InChIKey is CKJCDCMPRKWKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O2S/c8-6-5(10)2-1-4(7(6)11)3-14(9,12)13/h1-2H,3H2.
What are the key properties of (3-chloro-2,4-difluorophenyl)methanesulfonyl chloride?
(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride has a molecular weight of 261.08 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,4-difluorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 84806660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).