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

C10H12ClNO4S — CID 65371452

IUPAC5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
SMILESCc1oc(C(=O)N(C)C2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClNO4S/c1-6-9(17(11,14)15)5-8(16-6)10(13)12(2)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeySIZZHEVGFAMKGE-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.75
Rot. Bonds3

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

5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride (PubChem CID 65371452) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
PubChem CID65371452
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
SMILESCc1oc(C(=O)N(C)C2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClNO4S/c1-6-9(17(11,14)15)5-8(16-6)10(13)12(2)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeySIZZHEVGFAMKGE-UHFFFAOYSA-N
XLogP1.75
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
The IUPAC name of 5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride (CID 65371452) is 5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride.
What is the SMILES notation for 5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
The canonical SMILES for 5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride is Cc1oc(C(=O)N(C)C2CC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
The InChIKey is SIZZHEVGFAMKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-6-9(17(11,14)15)5-8(16-6)10(13)12(2)7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride?
5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride has a molecular weight of 277.73 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride is sourced from PubChem (CID 65371452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).