1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride

C12H17ClN2O4S — CID 114611356

IUPAC1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCOCCn1cc(S(=O)(=O)Cl)cc1C(=O)NC1CC1C
InChIInChI=1S/C12H17ClN2O4S/c1-8-5-10(8)14-12(16)11-6-9(20(13,17)18)7-15(11)3-4-19-2/h6-8,10H,3-5H2,1-2H3,(H,14,16)
InChIKeyGRUYFXXIWVHXJF-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.20
Rot. Bonds6

About 1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride

1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride (PubChem CID 114611356) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
PubChem CID114611356
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCOCCn1cc(S(=O)(=O)Cl)cc1C(=O)NC1CC1C
InChIInChI=1S/C12H17ClN2O4S/c1-8-5-10(8)14-12(16)11-6-9(20(13,17)18)7-15(11)3-4-19-2/h6-8,10H,3-5H2,1-2H3,(H,14,16)
InChIKeyGRUYFXXIWVHXJF-UHFFFAOYSA-N
XLogP1.20
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 65367382
1-(2-methoxyethyl)-5-[(1-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611570
cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
CID 114611702
1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611360
1-(2-methoxyethyl)-N-[(2-methylcyclopropyl)methyl]-4-sulfamoylpyrrole-2-carboxamide
CID 114612483
butyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
CID 114611671
1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611174
1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611998
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612786
5-(1-cyclopropylethylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611217
5-(2,4-dimethylpyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611631

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride (CID 114611356) is 1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride is COCCn1cc(S(=O)(=O)Cl)cc1C(=O)NC1CC1C.
What is the InChIKey of 1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The InChIKey is GRUYFXXIWVHXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-8-5-10(8)14-12(16)11-6-9(20(13,17)18)7-15(11)3-4-19-2/h6-8,10H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride?
1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride has a molecular weight of 320.80 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).