7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

C8H7ClN2O2S — CID 3019

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IUPAC7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
InChIKeyGDLBFKVLRPITMI-UHFFFAOYSA-N
MW230.68 g/mol
LogP1.87
Rot. Bonds

About 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 3019) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID3019
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC Name7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2cc(Cl)ccc2N1
InChIInChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
InChIKeyGDLBFKVLRPITMI-UHFFFAOYSA-N
XLogP1.87
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Idra 21
CID 3688
2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide
CID 67760
DU 717
CID 43148
7-Chloro-3-(1,1-dimethylpropyl)amino-4h-1,2,4-benzothiadiazine-1,1-dioxide
CID 135407182
7-chloro-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 135410919
3-(chloromethyl)-2H-1,2,4-benzothiadiazine-1,1-dione
CID 4132234
4-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfonylaniline
CID 10916464
7-chloro-N-ethyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135883702
Tocris-1219
CID 6604830
N-butan-2-yl-7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135410313
N-tert-butyl-7-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135443492
7-chloro-1,1-dioxo-N-pentan-3-yl-4H-1lambda6,2,4-benzothiadiazin-3-imine
CID 135446183

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide (CID 3019) is 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide is CC1=NS(=O)(=O)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is GDLBFKVLRPITMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11).
What are the key properties of 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide?
7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 230.68 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 3019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).