2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride

C11H14ClNO5S — CID 65397430

IUPAC2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride
SMILESCc1oc(C(=O)NC2CCCOC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO5S/c1-7-10(19(12,15)16)5-9(18-7)11(14)13-8-3-2-4-17-6-8/h5,8H,2-4,6H2,1H3,(H,13,14)
InChIKeySEEAFPUYOKKFAD-UHFFFAOYSA-N
MW307.75 g/mol
LogP1.42
Rot. Bonds3

About 2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride

2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride (PubChem CID 65397430) has the molecular formula C11H14ClNO5S and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride
PubChem CID65397430
Molecular FormulaC11H14ClNO5S
Molecular Weight307.75 g/mol
Exact Mass307.03
IUPAC Name2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride
SMILESCc1oc(C(=O)NC2CCCOC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO5S/c1-7-10(19(12,15)16)5-9(18-7)11(14)13-8-3-2-4-17-6-8/h5,8H,2-4,6H2,1H3,(H,13,14)
InChIKeySEEAFPUYOKKFAD-UHFFFAOYSA-N
XLogP1.42
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride (CID 65397430) is 2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride is Cc1oc(C(=O)NC2CCCOC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride?
The InChIKey is SEEAFPUYOKKFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-7-10(19(12,15)16)5-9(18-7)11(14)13-8-3-2-4-17-6-8/h5,8H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride?
2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride has a molecular weight of 307.75 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride is sourced from PubChem (CID 65397430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).