oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate

C9H9ClO5S2 — CID 102608574

IUPACoxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OC2COC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClO5S2/c1-5-8(17(10,12)13)2-7(16-5)9(11)15-6-3-14-4-6/h2,6H,3-4H2,1H3
InChIKeyXJZGMCGSWJBELH-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.54
Rot. Bonds3

About oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate

oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate (PubChem CID 102608574) has the molecular formula C9H9ClO5S2 and a molecular weight of 296.75 g/mol. Its IUPAC name is oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
PubChem CID102608574
Molecular FormulaC9H9ClO5S2
Molecular Weight296.75 g/mol
Exact Mass295.96
IUPAC Nameoxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OC2COC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClO5S2/c1-5-8(17(10,12)13)2-7(16-5)9(11)15-6-3-14-4-6/h2,6H,3-4H2,1H3
InChIKeyXJZGMCGSWJBELH-UHFFFAOYSA-N
XLogP1.54
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethylcyclohexyl) 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 115994120
2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676797
(3,5-dimethylcyclohexyl) 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 115994151
oxan-4-yl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65374325
4-methylpentyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676798
oxetan-3-yl 5-chlorosulfonyl-2-ethylbenzoate
CID 102608614
5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676774
2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride
CID 112676691
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
CID 102608571
5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 115994032
2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride
CID 106219395

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate?
The IUPAC name of oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate (CID 102608574) is oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate.
What is the SMILES notation for oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate?
The canonical SMILES for oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OC2COC2)cc1S(=O)(=O)Cl.
What is the InChIKey of oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate?
The InChIKey is XJZGMCGSWJBELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO5S2/c1-5-8(17(10,12)13)2-7(16-5)9(11)15-6-3-14-4-6/h2,6H,3-4H2,1H3.
What are the key properties of oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate?
oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate has a molecular weight of 296.75 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 102608574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).