propyl 3-chlorosulfonylthiophene-2-carboxylate

C8H9ClO4S2 — CID 22417293

IUPACpropyl 3-chlorosulfonylthiophene-2-carboxylate
SMILESCCCOC(=O)c1sccc1S(=O)(=O)Cl
InChIInChI=1S/C8H9ClO4S2/c1-2-4-13-8(10)7-6(3-5-14-7)15(9,11)12/h3,5H,2,4H2,1H3
InChIKeyRTUPLMIVHQYZBU-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.24
Rot. Bonds4

About propyl 3-chlorosulfonylthiophene-2-carboxylate

propyl 3-chlorosulfonylthiophene-2-carboxylate (PubChem CID 22417293) has the molecular formula C8H9ClO4S2 and a molecular weight of 268.74 g/mol. Its IUPAC name is propyl 3-chlorosulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namepropyl 3-chlorosulfonylthiophene-2-carboxylate
PubChem CID22417293
Molecular FormulaC8H9ClO4S2
Molecular Weight268.74 g/mol
Exact Mass267.96
IUPAC Namepropyl 3-chlorosulfonylthiophene-2-carboxylate
SMILESCCCOC(=O)c1sccc1S(=O)(=O)Cl
InChIInChI=1S/C8H9ClO4S2/c1-2-4-13-8(10)7-6(3-5-14-7)15(9,11)12/h3,5H,2,4H2,1H3
InChIKeyRTUPLMIVHQYZBU-UHFFFAOYSA-N
XLogP2.24
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propyl 3-chlorosulfonylthiophene-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 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate
CID 18434630
2-propylsulfonylethyl 3-aminothiophene-2-carboxylate
CID 106728784
propyl 4-bromo-3-chlorosulfonylbenzoate
CID 65396719
propyl 3-chlorosulfonyl-4-(trifluoromethoxy)thiophene-2-carboxylate
CID 18434638
methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate
CID 156531143
[(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate
CID 75407234
2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate
CID 106728783
propyl 5-chlorosulfonyl-2,4-dimethoxybenzoate
CID 65398639
propyl 5-bromo-3-chlorosulfonyl-2-methylbenzoate
CID 65396915
propyl 5-chlorosulfonyl-2-methylbenzoate
CID 65398255
heptyl 2-chlorosulfonylbenzoate
CID 87744508
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472

Frequently Asked Questions

What is the IUPAC name of propyl 3-chlorosulfonylthiophene-2-carboxylate?
The IUPAC name of propyl 3-chlorosulfonylthiophene-2-carboxylate (CID 22417293) is propyl 3-chlorosulfonylthiophene-2-carboxylate.
What is the SMILES notation for propyl 3-chlorosulfonylthiophene-2-carboxylate?
The canonical SMILES for propyl 3-chlorosulfonylthiophene-2-carboxylate is CCCOC(=O)c1sccc1S(=O)(=O)Cl.
What is the InChIKey of propyl 3-chlorosulfonylthiophene-2-carboxylate?
The InChIKey is RTUPLMIVHQYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO4S2/c1-2-4-13-8(10)7-6(3-5-14-7)15(9,11)12/h3,5H,2,4H2,1H3.
What are the key properties of propyl 3-chlorosulfonylthiophene-2-carboxylate?
propyl 3-chlorosulfonylthiophene-2-carboxylate has a molecular weight of 268.74 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-chlorosulfonylthiophene-2-carboxylate is sourced from PubChem (CID 22417293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).