5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride

C11H17ClN2O4S — CID 81074609

IUPAC5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
SMILESCCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C11H17ClN2O4S/c1-4-18-6-5-13(2)11(15)10-7-9(8-14(10)3)19(12,16)17/h7-8H,4-6H2,1-3H3
InChIKeyXRDAXWGMAGSQAP-UHFFFAOYSA-N
MW308.79 g/mol
LogP1.06
Rot. Bonds6

About 5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride

5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride (PubChem CID 81074609) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is 5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
PubChem CID81074609
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Name5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
SMILESCCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C11H17ClN2O4S/c1-4-18-6-5-13(2)11(15)10-7-9(8-14(10)3)19(12,16)17/h7-8H,4-6H2,1-3H3
InChIKeyXRDAXWGMAGSQAP-UHFFFAOYSA-N
XLogP1.06
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
5-[3-methoxypropyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366837
2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65396196
N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 63722565
3-[2-ethoxyethyl(methyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 81074339
5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480
5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 81073813
5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 79005334
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367293
3-methylbutyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65396394

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride (CID 81074609) is 5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride is CCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cn1C.
What is the InChIKey of 5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
The InChIKey is XRDAXWGMAGSQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4S/c1-4-18-6-5-13(2)11(15)10-7-9(8-14(10)3)19(12,16)17/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride?
5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride has a molecular weight of 308.79 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 81074609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).