cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate

C12H16ClNO5S — CID 114611702

IUPACcyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
SMILESCOCCn1cc(S(=O)(=O)Cl)cc1C(=O)OCC1CC1
InChIInChI=1S/C12H16ClNO5S/c1-18-5-4-14-7-10(20(13,16)17)6-11(14)12(15)19-8-9-2-3-9/h6-7,9H,2-5,8H2,1H3
InChIKeyLZSXRWVIXZIFFT-UHFFFAOYSA-N
MW321.78 g/mol
LogP1.63
Rot. Bonds7

About cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate

cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate (PubChem CID 114611702) has the molecular formula C12H16ClNO5S and a molecular weight of 321.78 g/mol. Its IUPAC name is cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
PubChem CID114611702
Molecular FormulaC12H16ClNO5S
Molecular Weight321.78 g/mol
Exact Mass321.04
IUPAC Namecyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
SMILESCOCCn1cc(S(=O)(=O)Cl)cc1C(=O)OCC1CC1
InChIInChI=1S/C12H16ClNO5S/c1-18-5-4-14-7-10(20(13,16)17)6-11(14)12(15)19-8-9-2-3-9/h6-7,9H,2-5,8H2,1H3
InChIKeyLZSXRWVIXZIFFT-UHFFFAOYSA-N
XLogP1.63
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentylmethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611828
butyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
CID 114611671
cyclohexylmethyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611798
cyclopentylmethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 66322738
cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612665
1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611356
2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 106207038
1-(2-methoxyethyl)-5-[(1-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611570
ethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611653
1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611174
3-methylbutyl 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylate
CID 114612712
1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612786

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate?
The IUPAC name of cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate (CID 114611702) is cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate is COCCn1cc(S(=O)(=O)Cl)cc1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate?
The InChIKey is LZSXRWVIXZIFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO5S/c1-18-5-4-14-7-10(20(13,16)17)6-11(14)12(15)19-8-9-2-3-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate?
cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate has a molecular weight of 321.78 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 114611702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).