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

C11H16ClNO5S — CID 81073813

IUPAC5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
SMILESCCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C11H16ClNO5S/c1-4-17-6-5-13(3)11(14)9-7-10(8(2)18-9)19(12,15)16/h7H,4-6H2,1-3H3
InChIKeyQUGVVQYRBHXOBB-UHFFFAOYSA-N
MW309.77 g/mol
LogP1.62
Rot. Bonds6

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

5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride (PubChem CID 81073813) has the molecular formula C11H16ClNO5S and a molecular weight of 309.77 g/mol. Its IUPAC name is 5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
PubChem CID81073813
Molecular FormulaC11H16ClNO5S
Molecular Weight309.77 g/mol
Exact Mass309.04
IUPAC Name5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
SMILESCCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C11H16ClNO5S/c1-4-17-6-5-13(3)11(14)9-7-10(8(2)18-9)19(12,15)16/h7H,4-6H2,1-3H3
InChIKeyQUGVVQYRBHXOBB-UHFFFAOYSA-N
XLogP1.62
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 51.62
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-[3-methoxypropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65398763
2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride
CID 65370536
5-bromo-N-(2-ethoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 81074713
5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65371452
5-(2-methoxyethylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
CID 65368796
5-[ethyl(2-methylbutyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 79471079
5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 81074609
5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81055957
3-[2-ethoxyethyl(methyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 81074339
octyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65375670
tert-butyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65398469
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81058548

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
The IUPAC name of 5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride (CID 81073813) is 5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride.
What is the SMILES notation for 5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
The canonical SMILES for 5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride is CCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1.
What is the InChIKey of 5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
The InChIKey is QUGVVQYRBHXOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO5S/c1-4-17-6-5-13(3)11(14)9-7-10(8(2)18-9)19(12,15)16/h7H,4-6H2,1-3H3.
What are the key properties of 5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride has a molecular weight of 309.77 g/mol, XLogP of 1.62, 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]-2-methylfuran-3-sulfonyl chloride is sourced from PubChem (CID 81073813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).