(3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

C13H10Cl3N3O4S2 — CID 2345714

IUPAC(3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1ccc(Cl)c(Cl)c1)NS2(=O)=O
InChIInChI=1S/C13H10Cl3N3O4S2/c14-7-2-1-6(3-8(7)15)13-18-10-4-9(16)11(24(17,20)21)5-12(10)25(22,23)19-13/h1-5,13,18-19H,(H2,17,20,21)/t13-/m1/s1
InChIKeyATXBEVWLGQCBOP-CYBMUJFWSA-N
MW442.73 g/mol
LogP2.70
Rot. Bonds2

About (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

(3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 2345714) has the molecular formula C13H10Cl3N3O4S2 and a molecular weight of 442.73 g/mol. Its IUPAC name is (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name(3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID2345714
Molecular FormulaC13H10Cl3N3O4S2
Molecular Weight442.73 g/mol
Exact Mass440.92
IUPAC Name(3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1ccc(Cl)c(Cl)c1)NS2(=O)=O
InChIInChI=1S/C13H10Cl3N3O4S2/c14-7-2-1-6(3-8(7)15)13-18-10-4-9(16)11(24(17,20)21)5-12(10)25(22,23)19-13/h1-5,13,18-19H,(H2,17,20,21)/t13-/m1/s1
InChIKeyATXBEVWLGQCBOP-CYBMUJFWSA-N
XLogP2.70
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.73
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-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 (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (CID 2345714) is (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1ccc(Cl)c(Cl)c1)NS2(=O)=O.
What is the InChIKey of (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is ATXBEVWLGQCBOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H10Cl3N3O4S2/c14-7-2-1-6(3-8(7)15)13-18-10-4-9(16)11(24(17,20)21)5-12(10)25(22,23)19-13/h1-5,13,18-19H,(H2,17,20,21)/t13-/m1/s1.
What are the key properties of (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide?
(3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 442.73 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 2345714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).