4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride

C6H3ClF3NO2S — CID 118817253

IUPAC4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)F)c(F)cn1
InChIInChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-1-3(6(9)10)4(8)2-11-5/h1-2,6H
InChIKeyDSSVUPWUYKXEGW-UHFFFAOYSA-N
MW245.61 g/mol
LogP2.09
Rot. Bonds2

About 4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride

4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride (PubChem CID 118817253) has the molecular formula C6H3ClF3NO2S and a molecular weight of 245.61 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride
PubChem CID118817253
Molecular FormulaC6H3ClF3NO2S
Molecular Weight245.61 g/mol
Exact Mass244.95
IUPAC Name4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)F)c(F)cn1
InChIInChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-1-3(6(9)10)4(8)2-11-5/h1-2,6H
InChIKeyDSSVUPWUYKXEGW-UHFFFAOYSA-N
XLogP2.09
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.61
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride?
The IUPAC name of 4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride (CID 118817253) is 4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)F)c(F)cn1.
What is the InChIKey of 4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride?
The InChIKey is DSSVUPWUYKXEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-1-3(6(9)10)4(8)2-11-5/h1-2,6H.
What are the key properties of 4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride?
4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride has a molecular weight of 245.61 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 118817253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).