2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride

C11H14ClNO6S2 — CID 65396030

IUPAC2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride
SMILESCc1oc(C(=O)NC2(C)CCS(=O)(=O)C2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO6S2/c1-7-9(21(12,17)18)5-8(19-7)10(14)13-11(2)3-4-20(15,16)6-11/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyKYEOBAUXQOLBCA-UHFFFAOYSA-N
MW355.82 g/mol
LogP0.82
Rot. Bonds3

About 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride

2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride (PubChem CID 65396030) has the molecular formula C11H14ClNO6S2 and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride
PubChem CID65396030
Molecular FormulaC11H14ClNO6S2
Molecular Weight355.82 g/mol
Exact Mass355.00
IUPAC Name2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride
SMILESCc1oc(C(=O)NC2(C)CCS(=O)(=O)C2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO6S2/c1-7-9(21(12,17)18)5-8(19-7)10(14)13-11(2)3-4-20(15,16)6-11/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyKYEOBAUXQOLBCA-UHFFFAOYSA-N
XLogP0.82
TPSA110.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 51183630
5-[(4,4-dimethylcyclohexyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65398806
5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
CID 65372173
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
2-N,4-N-bis(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2,4-dicarboxamide
CID 166181280
4-(dimethylsulfamoyl)-5-methyl-N-(3-methyloxan-3-yl)furan-2-carboxamide
CID 146125240
5-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 51183619
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
CID 30583271
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride (CID 65396030) is 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride is Cc1oc(C(=O)NC2(C)CCS(=O)(=O)C2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride?
The InChIKey is KYEOBAUXQOLBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO6S2/c1-7-9(21(12,17)18)5-8(19-7)10(14)13-11(2)3-4-20(15,16)6-11/h5H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride?
2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride has a molecular weight of 355.82 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride is sourced from PubChem (CID 65396030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).