5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide

C10H16ClN3O4S2 — CID 60745540

IUPAC5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H16ClN3O4S2/c1-3-14(8-4-5-19(15,16)6-8)20(17,18)10-9(11)13(2)7-12-10/h7-8H,3-6H2,1-2H3
InChIKeyYJWCYCYLWXPEFC-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.27
Rot. Bonds4

About 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide

5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide (PubChem CID 60745540) has the molecular formula C10H16ClN3O4S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
PubChem CID60745540
Molecular FormulaC10H16ClN3O4S2
Molecular Weight341.84 g/mol
Exact Mass341.03
IUPAC Name5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H16ClN3O4S2/c1-3-14(8-4-5-19(15,16)6-8)20(17,18)10-9(11)13(2)7-12-10/h7-8H,3-6H2,1-2H3
InChIKeyYJWCYCYLWXPEFC-UHFFFAOYSA-N
XLogP0.27
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide (CID 60745540) is 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The InChIKey is YJWCYCYLWXPEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S2/c1-3-14(8-4-5-19(15,16)6-8)20(17,18)10-9(11)13(2)7-12-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide has a molecular weight of 341.84 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 60745540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).