5-carbamoyl-2-methylfuran-3-sulfonyl chloride

C6H6ClNO4S — CID 65367587

IUPAC5-carbamoyl-2-methylfuran-3-sulfonyl chloride
SMILESCc1oc(C(N)=O)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H6ClNO4S/c1-3-5(13(7,10)11)2-4(12-3)6(8)9/h2H,1H3,(H2,8,9)
InChIKeyDSHMBSMSPMTIRP-UHFFFAOYSA-N
MW223.64 g/mol
LogP0.61
Rot. Bonds2

About 5-carbamoyl-2-methylfuran-3-sulfonyl chloride

5-carbamoyl-2-methylfuran-3-sulfonyl chloride (PubChem CID 65367587) has the molecular formula C6H6ClNO4S and a molecular weight of 223.64 g/mol. Its IUPAC name is 5-carbamoyl-2-methylfuran-3-sulfonyl chloride.

Molecular Properties

Compound Name5-carbamoyl-2-methylfuran-3-sulfonyl chloride
PubChem CID65367587
Molecular FormulaC6H6ClNO4S
Molecular Weight223.64 g/mol
Exact Mass222.97
IUPAC Name5-carbamoyl-2-methylfuran-3-sulfonyl chloride
SMILESCc1oc(C(N)=O)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H6ClNO4S/c1-3-5(13(7,10)11)2-4(12-3)6(8)9/h2H,1H3,(H2,8,9)
InChIKeyDSHMBSMSPMTIRP-UHFFFAOYSA-N
XLogP0.61
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.64
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylfuran-2-carboxamide
CID 5166334
5-Sulfamoylfuran-2-carboxamide
CID 220999
5-ethyl-N-propylsulfonylfuran-2-carboxamide
CID 71874822
Furan-2,5-dicarboxamide
CID 19877772
N-(Benzenesulfonyl)furan-2-carboxamide
CID 47108685
2-Methyl-5-[propyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride
CID 65370624
2-Methyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-sulfonyl chloride
CID 65371814
2-Methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]furan-3-sulfonyl chloride
CID 65372681
5-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65372727
2-Methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride
CID 65396850
2-Methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]furan-3-sulfonyl chloride
CID 65545565
2-Methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]furan-3-sulfonyl chloride
CID 106219398

Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-2-methylfuran-3-sulfonyl chloride?
The IUPAC name of 5-carbamoyl-2-methylfuran-3-sulfonyl chloride (CID 65367587) is 5-carbamoyl-2-methylfuran-3-sulfonyl chloride.
What is the SMILES notation for 5-carbamoyl-2-methylfuran-3-sulfonyl chloride?
The canonical SMILES for 5-carbamoyl-2-methylfuran-3-sulfonyl chloride is Cc1oc(C(N)=O)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-carbamoyl-2-methylfuran-3-sulfonyl chloride?
The InChIKey is DSHMBSMSPMTIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO4S/c1-3-5(13(7,10)11)2-4(12-3)6(8)9/h2H,1H3,(H2,8,9).
What are the key properties of 5-carbamoyl-2-methylfuran-3-sulfonyl chloride?
5-carbamoyl-2-methylfuran-3-sulfonyl chloride has a molecular weight of 223.64 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-2-methylfuran-3-sulfonyl chloride is sourced from PubChem (CID 65367587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).