4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C18H22N4O4S2 — CID 134828072

IUPAC4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCN1CNS(=O)(=O)c2ccc(CCc3ccc4c(c3)N(C)CNS4(=O)=O)cc21
InChIInChI=1S/C18H22N4O4S2/c1-21-11-19-27(23,24)17-7-5-13(9-15(17)21)3-4-14-6-8-18-16(10-14)22(2)12-20-28(18,25)26/h5-10,19-20H,3-4,11-12H2,1-2H3
InChIKeyPZUOXMWBXQXKJK-UHFFFAOYSA-N
MW422.53 g/mol
LogP0.84
Rot. Bonds3

About 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 134828072) has the molecular formula C18H22N4O4S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID134828072
Molecular FormulaC18H22N4O4S2
Molecular Weight422.53 g/mol
Exact Mass422.11
IUPAC Name4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCN1CNS(=O)(=O)c2ccc(CCc3ccc4c(c3)N(C)CNS4(=O)=O)cc21
InChIInChI=1S/C18H22N4O4S2/c1-21-11-19-27(23,24)17-7-5-13(9-15(17)21)3-4-14-6-8-18-16(10-14)22(2)12-20-28(18,25)26/h5-10,19-20H,3-4,11-12H2,1-2H3
InChIKeyPZUOXMWBXQXKJK-UHFFFAOYSA-N
XLogP0.84
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6'-(Ethane-1,2-diyl)bis(4-cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide)
CID 137628313
(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 44129629
3-phenyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 9795164
Bendroflumetazide
CID 44568930
4-Cyclopropyl-6-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 44608185
4-(1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline
CID 11748701
4,6-Dimethyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 145976409
Bendroflumethiazide, tetramethyl derivative
CID 91753795
2-benzyl-3-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 3485027
3-benzyl-1,1-dioxo-N-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 58979776
1,1-Dioxo-6-(trifluoromethyl)-2,3-dihydro-1lambda6,2,4-benzothiadiazine-4-sulfonamide
CID 70066854
3-Benzyl-1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1lambda6,2,4-benzothiadiazine-4-sulfonamide
CID 70405903

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 134828072) is 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is CN1CNS(=O)(=O)c2ccc(CCc3ccc4c(c3)N(C)CNS4(=O)=O)cc21.
What is the InChIKey of 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is PZUOXMWBXQXKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S2/c1-21-11-19-27(23,24)17-7-5-13(9-15(17)21)3-4-14-6-8-18-16(10-14)22(2)12-20-28(18,25)26/h5-10,19-20H,3-4,11-12H2,1-2H3.
What are the key properties of 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 422.53 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-6-yl)ethyl]-2,3-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 134828072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).