5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide

C10H14ClNO3S2 — CID 82745840

IUPAC5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1csc(CCl)c1
InChIInChI=1S/C10H14ClNO3S2/c1-12(8-2-3-15-6-8)17(13,14)10-4-9(5-11)16-7-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyCRODPBVZLUMNMI-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.90
Rot. Bonds4

About 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide

5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide (PubChem CID 82745840) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
PubChem CID82745840
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC Name5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1csc(CCl)c1
InChIInChI=1S/C10H14ClNO3S2/c1-12(8-2-3-15-6-8)17(13,14)10-4-9(5-11)16-7-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyCRODPBVZLUMNMI-UHFFFAOYSA-N
XLogP1.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-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-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746154
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744473
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745836
4-(1-hydroxyethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82748017
5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 82743810
5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 82733477
1-[4-(chloromethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82745962
4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82744724
5-bromo-3-(chloromethyl)-2-fluoro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745729
5-(chloromethyl)-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744947
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide (CID 82745840) is 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide is CN(C1CCOC1)S(=O)(=O)c1csc(CCl)c1.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide?
The InChIKey is CRODPBVZLUMNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S2/c1-12(8-2-3-15-6-8)17(13,14)10-4-9(5-11)16-7-10/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide?
5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide has a molecular weight of 295.81 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 82745840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).