6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide

C10H12ClN3O6S2 — CID 143284970

IUPAC6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NCN(CC(=O)CO)S2(=O)=O
InChIInChI=1S/C10H12ClN3O6S2/c11-7-1-8-10(2-9(7)21(12,17)18)22(19,20)14(5-13-8)3-6(16)4-15/h1-2,13,15H,3-5H2,(H2,12,17,18)
InChIKeyFPMYXRPRHDRBIX-UHFFFAOYSA-N
MW369.81 g/mol
LogP-1.08
Rot. Bonds4

About 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide

6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 143284970) has the molecular formula C10H12ClN3O6S2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID143284970
Molecular FormulaC10H12ClN3O6S2
Molecular Weight369.81 g/mol
Exact Mass368.99
IUPAC Name6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NCN(CC(=O)CO)S2(=O)=O
InChIInChI=1S/C10H12ClN3O6S2/c11-7-1-8-10(2-9(7)21(12,17)18)22(19,20)14(5-13-8)3-6(16)4-15/h1-2,13,15H,3-5H2,(H2,12,17,18)
InChIKeyFPMYXRPRHDRBIX-UHFFFAOYSA-N
XLogP-1.08
TPSA146.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-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 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide (CID 143284970) is 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide is NS(=O)(=O)c1cc2c(cc1Cl)NCN(CC(=O)CO)S2(=O)=O.
What is the InChIKey of 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is FPMYXRPRHDRBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O6S2/c11-7-1-8-10(2-9(7)21(12,17)18)22(19,20)14(5-13-8)3-6(16)4-15/h1-2,13,15H,3-5H2,(H2,12,17,18).
What are the key properties of 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 369.81 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 143284970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).