6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide

C9H12ClN3O4S2 — CID 25041665

IUPAC6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1C
InChIInChI=1S/C9H12ClN3O4S2/c1-5-12-7-3-6(10)8(18(11,14)15)4-9(7)19(16,17)13(5)2/h3-5,12H,1-2H3,(H2,11,14,15)
InChIKeyQXIQPEOYODACBW-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.38
Rot. Bonds1

About 6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide

6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 25041665) has the molecular formula C9H12ClN3O4S2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID25041665
Molecular FormulaC9H12ClN3O4S2
Molecular Weight325.80 g/mol
Exact Mass325.00
IUPAC Name6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1C
InChIInChI=1S/C9H12ClN3O4S2/c1-5-12-7-3-6(10)8(18(11,14)15)4-9(7)19(16,17)13(5)2/h3-5,12H,1-2H3,(H2,11,14,15)
InChIKeyQXIQPEOYODACBW-UHFFFAOYSA-N
XLogP0.38
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide (CID 25041665) is 6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide is CC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1C.
What is the InChIKey of 6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is QXIQPEOYODACBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O4S2/c1-5-12-7-3-6(10)8(18(11,14)15)4-9(7)19(16,17)13(5)2/h3-5,12H,1-2H3,(H2,11,14,15).
What are the key properties of 6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 325.80 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 25041665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).