5-(chloromethyl)-N-methylfuran-2-sulfonamide

C6H8ClNO3S — CID 6422154

IUPAC5-(chloromethyl)-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CCl)o1
InChIInChI=1S/C6H8ClNO3S/c1-8-12(9,10)6-3-2-5(4-7)11-6/h2-3,8H,4H2,1H3
InChIKeyZVXGKDAGSNKOSH-UHFFFAOYSA-N
MW209.65 g/mol
LogP0.93
Rot. Bonds3

About 5-(chloromethyl)-N-methylfuran-2-sulfonamide

5-(chloromethyl)-N-methylfuran-2-sulfonamide (PubChem CID 6422154) has the molecular formula C6H8ClNO3S and a molecular weight of 209.65 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-methylfuran-2-sulfonamide
PubChem CID6422154
Molecular FormulaC6H8ClNO3S
Molecular Weight209.65 g/mol
Exact Mass208.99
IUPAC Name5-(chloromethyl)-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(CCl)o1
InChIInChI=1S/C6H8ClNO3S/c1-8-12(9,10)6-3-2-5(4-7)11-6/h2-3,8H,4H2,1H3
InChIKeyZVXGKDAGSNKOSH-UHFFFAOYSA-N
XLogP0.93
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-N-methylfuran-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 107850325
5-[[(4-hydroxyphenyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 114331390
N-methyl-5-[(pent-4-ynylamino)methyl]furan-2-sulfonamide
CID 106220264
N-methyl-5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-sulfonamide
CID 81351573
5-[[(4-hydroxycyclohexyl)methylamino]methyl]-N-methylfuran-2-sulfonamide
CID 106124948
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-N-methylfuran-2-sulfonamide
CID 81349730
5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide
CID 79055174
N-methyl-5-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106425254
N-methyl-5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-2-sulfonamide
CID 106379707
N-methyl-5-[(2-prop-2-ynylsulfanylethylamino)methyl]furan-2-sulfonamide
CID 106426080
N-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 80725729

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-(chloromethyl)-N-methylfuran-2-sulfonamide (CID 6422154) is 5-(chloromethyl)-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-(chloromethyl)-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-(chloromethyl)-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N-methylfuran-2-sulfonamide?
The InChIKey is ZVXGKDAGSNKOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO3S/c1-8-12(9,10)6-3-2-5(4-7)11-6/h2-3,8H,4H2,1H3.
What are the key properties of 5-(chloromethyl)-N-methylfuran-2-sulfonamide?
5-(chloromethyl)-N-methylfuran-2-sulfonamide has a molecular weight of 209.65 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 6422154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).