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

C8H10ClN3O4S2 — CID 6432768

IUPAC6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCN1CNc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
InChIInChI=1S/C8H10ClN3O4S2/c1-12-4-11-6-2-5(9)7(17(10,13)14)3-8(6)18(12,15)16/h2-3,11H,4H2,1H3,(H2,10,13,14)
InChIKeyCNSCONHVBQJXDB-UHFFFAOYSA-N
MW311.77 g/mol
LogP-0.01
Rot. Bonds1

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

6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 6432768) has the molecular formula C8H10ClN3O4S2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID6432768
Molecular FormulaC8H10ClN3O4S2
Molecular Weight311.77 g/mol
Exact Mass310.98
IUPAC Name6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCN1CNc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
InChIInChI=1S/C8H10ClN3O4S2/c1-12-4-11-6-2-5(9)7(17(10,13)14)3-8(6)18(12,15)16/h2-3,11H,4H2,1H3,(H2,10,13,14)
InChIKeyCNSCONHVBQJXDB-UHFFFAOYSA-N
XLogP-0.01
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide (CID 6432768) is 6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide is CN1CNc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O.
What is the InChIKey of 6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is CNSCONHVBQJXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O4S2/c1-12-4-11-6-2-5(9)7(17(10,13)14)3-8(6)18(12,15)16/h2-3,11H,4H2,1H3,(H2,10,13,14).
What are the key properties of 6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 311.77 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 6432768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).