4-chloro-3-(difluoromethyl)benzenesulfonyl chloride

C7H4Cl2F2O2S — CID 62631506

IUPAC4-chloro-3-(difluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c(C(F)F)c1
InChIInChI=1S/C7H4Cl2F2O2S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3,7H
InChIKeyWTDRGOGUSDWYKX-UHFFFAOYSA-N
MW261.08 g/mol
LogP3.21
Rot. Bonds2

About 4-chloro-3-(difluoromethyl)benzenesulfonyl chloride

4-chloro-3-(difluoromethyl)benzenesulfonyl chloride (PubChem CID 62631506) has the molecular formula C7H4Cl2F2O2S and a molecular weight of 261.08 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)benzenesulfonyl chloride
PubChem CID62631506
Molecular FormulaC7H4Cl2F2O2S
Molecular Weight261.08 g/mol
Exact Mass259.93
IUPAC Name4-chloro-3-(difluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c(C(F)F)c1
InChIInChI=1S/C7H4Cl2F2O2S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3,7H
InChIKeyWTDRGOGUSDWYKX-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-(difluoromethyl)benzenesulfonyl chloride (CID 62631506) is 4-chloro-3-(difluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-(difluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)c(C(F)F)c1.
What is the InChIKey of 4-chloro-3-(difluoromethyl)benzenesulfonyl chloride?
The InChIKey is WTDRGOGUSDWYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O2S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3,7H.
What are the key properties of 4-chloro-3-(difluoromethyl)benzenesulfonyl chloride?
4-chloro-3-(difluoromethyl)benzenesulfonyl chloride has a molecular weight of 261.08 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 62631506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).