5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide

C10H12ClNO4S — CID 51183630

IUPAC5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCC1(NC(=O)c2ccc(Cl)o2)CCS(=O)(=O)C1
InChIInChI=1S/C10H12ClNO4S/c1-10(4-5-17(14,15)6-10)12-9(13)7-2-3-8(11)16-7/h2-3H,4-6H2,1H3,(H,12,13)
InChIKeyZORWORYTALNRBP-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.24
Rot. Bonds2

About 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide

5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide (PubChem CID 51183630) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
PubChem CID51183630
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCC1(NC(=O)c2ccc(Cl)o2)CCS(=O)(=O)C1
InChIInChI=1S/C10H12ClNO4S/c1-10(4-5-17(14,15)6-10)12-9(13)7-2-3-8(11)16-7/h2-3H,4-6H2,1H3,(H,12,13)
InChIKeyZORWORYTALNRBP-UHFFFAOYSA-N
XLogP1.24
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide (CID 51183630) is 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide is CC1(NC(=O)c2ccc(Cl)o2)CCS(=O)(=O)C1.
What is the InChIKey of 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The InChIKey is ZORWORYTALNRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-10(4-5-17(14,15)6-10)12-9(13)7-2-3-8(11)16-7/h2-3H,4-6H2,1H3,(H,12,13).
What are the key properties of 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide?
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide has a molecular weight of 277.73 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 51183630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).