2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate

C14H20ClNO4S — CID 106207038

IUPAC2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(S(=O)(=O)Cl)cc1C(=O)OCCC1CCC1
InChIInChI=1S/C14H20ClNO4S/c1-2-7-16-10-12(21(15,18)19)9-13(16)14(17)20-8-6-11-4-3-5-11/h9-11H,2-8H2,1H3
InChIKeyVHDBROPFTIZKNV-UHFFFAOYSA-N
MW333.84 g/mol
LogP3.17
Rot. Bonds7

About 2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate

2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate (PubChem CID 106207038) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
PubChem CID106207038
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
SMILESCCCn1cc(S(=O)(=O)Cl)cc1C(=O)OCCC1CCC1
InChIInChI=1S/C14H20ClNO4S/c1-2-7-16-10-12(21(15,18)19)9-13(16)14(17)20-8-6-11-4-3-5-11/h9-11H,2-8H2,1H3
InChIKeyVHDBROPFTIZKNV-UHFFFAOYSA-N
XLogP3.17
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentylmethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611828
ethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611653
cyclohexylmethyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611798
cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
CID 114611702
butyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
CID 114611671
cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612665
cyclopentylmethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 66322738
propyl 4-chlorosulfonyl-1-(2,2-difluoroethyl)pyrrole-2-carboxylate
CID 114611659
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200
3-methylbutyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611749
5-(1-cyclopropylethylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611217

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate?
The IUPAC name of 2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate (CID 106207038) is 2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate is CCCn1cc(S(=O)(=O)Cl)cc1C(=O)OCCC1CCC1.
What is the InChIKey of 2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate?
The InChIKey is VHDBROPFTIZKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-2-7-16-10-12(21(15,18)19)9-13(16)14(17)20-8-6-11-4-3-5-11/h9-11H,2-8H2,1H3.
What are the key properties of 2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate?
2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate has a molecular weight of 333.84 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate is sourced from PubChem (CID 106207038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).