propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate

C8H8ClFO4S2 — CID 18434630

IUPACpropyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate
SMILESCCCOC(=O)c1scc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO4S2/c1-2-3-14-8(11)6-7(16(9,12)13)5(10)4-15-6/h4H,2-3H2,1H3
InChIKeyMWTOQSGOEHFZIF-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.38
Rot. Bonds4

About propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate

propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate (PubChem CID 18434630) has the molecular formula C8H8ClFO4S2 and a molecular weight of 286.73 g/mol. Its IUPAC name is propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate.

Molecular Properties

Compound Namepropyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate
PubChem CID18434630
Molecular FormulaC8H8ClFO4S2
Molecular Weight286.73 g/mol
Exact Mass285.95
IUPAC Namepropyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate
SMILESCCCOC(=O)c1scc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO4S2/c1-2-3-14-8(11)6-7(16(9,12)13)5(10)4-15-6/h4H,2-3H2,1H3
InChIKeyMWTOQSGOEHFZIF-UHFFFAOYSA-N
XLogP2.38
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 4-fluoro-3-isocyanatosulfonylthiophene-2-carboxylate
CID 18434642
propyl 3-chlorosulfonyl-4-(trifluoromethoxy)thiophene-2-carboxylate
CID 18434638
propyl 3-chlorosulfonylthiophene-2-carboxylate
CID 22417293
ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate
CID 18434703
propyl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
CID 65396721
propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858
methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate
CID 18434811
ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate
CID 18434656
ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434574
propyl 3,4,5-trifluorobenzoate
CID 63186256
ethyl 3-chlorosulfonyl-4,5-dimethylthiophene-2-carboxylate
CID 166081846
propyl 2-amino-6-fluorobenzoate
CID 43443196

Frequently Asked Questions

What is the IUPAC name of propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate?
The IUPAC name of propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate (CID 18434630) is propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate.
What is the SMILES notation for propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate?
The canonical SMILES for propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate is CCCOC(=O)c1scc(F)c1S(=O)(=O)Cl.
What is the InChIKey of propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate?
The InChIKey is MWTOQSGOEHFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO4S2/c1-2-3-14-8(11)6-7(16(9,12)13)5(10)4-15-6/h4H,2-3H2,1H3.
What are the key properties of propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate?
propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate has a molecular weight of 286.73 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate is sourced from PubChem (CID 18434630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).