6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide

C8H8ClN3O4S2 — CID 5351722

IUPAC6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCc1c(Cl)c(S(N)(=O)=O)cc2c1NC=NS2(=O)=O
InChIInChI=1S/C8H8ClN3O4S2/c1-4-7(9)5(17(10,13)14)2-6-8(4)11-3-12-18(6,15)16/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyUNUUPKIWWPPKGU-UHFFFAOYSA-N
MW309.76 g/mol
LogP0.44
Rot. Bonds1

About 6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide

6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 5351722) has the molecular formula C8H8ClN3O4S2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID5351722
Molecular FormulaC8H8ClN3O4S2
Molecular Weight309.76 g/mol
Exact Mass308.96
IUPAC Name6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCc1c(Cl)c(S(N)(=O)=O)cc2c1NC=NS2(=O)=O
InChIInChI=1S/C8H8ClN3O4S2/c1-4-7(9)5(17(10,13)14)2-6-8(4)11-3-12-18(6,15)16/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChIKeyUNUUPKIWWPPKGU-UHFFFAOYSA-N
XLogP0.44
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide (CID 5351722) is 6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide is Cc1c(Cl)c(S(N)(=O)=O)cc2c1NC=NS2(=O)=O.
What is the InChIKey of 6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is UNUUPKIWWPPKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O4S2/c1-4-7(9)5(17(10,13)14)2-6-8(4)11-3-12-18(6,15)16/h2-3H,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 309.76 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 5351722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).