5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride

C10H4Cl2F2O2S2 — CID 86689190

IUPAC5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(-c2cc(F)ccc2F)c(Cl)s1
InChIInChI=1S/C10H4Cl2F2O2S2/c11-10-7(4-9(17-10)18(12,15)16)6-3-5(13)1-2-8(6)14/h1-4H
InChIKeyLNUZRCWIMBPGIM-UHFFFAOYSA-N
MW329.18 g/mol
LogP4.27
Rot. Bonds2

About 5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride

5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride (PubChem CID 86689190) has the molecular formula C10H4Cl2F2O2S2 and a molecular weight of 329.18 g/mol. Its IUPAC name is 5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride
PubChem CID86689190
Molecular FormulaC10H4Cl2F2O2S2
Molecular Weight329.18 g/mol
Exact Mass327.90
IUPAC Name5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(-c2cc(F)ccc2F)c(Cl)s1
InChIInChI=1S/C10H4Cl2F2O2S2/c11-10-7(4-9(17-10)18(12,15)16)6-3-5(13)1-2-8(6)14/h1-4H
InChIKeyLNUZRCWIMBPGIM-UHFFFAOYSA-N
XLogP4.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride (CID 86689190) is 5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(-c2cc(F)ccc2F)c(Cl)s1.
What is the InChIKey of 5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride?
The InChIKey is LNUZRCWIMBPGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F2O2S2/c11-10-7(4-9(17-10)18(12,15)16)6-3-5(13)1-2-8(6)14/h1-4H.
What are the key properties of 5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride?
5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride has a molecular weight of 329.18 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 86689190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).