4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline

C15H17N3O2S — CID 11748701

IUPAC4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2Nc3ccccc3S(=O)(=O)N2)cc1
InChIInChI=1S/C15H17N3O2S/c1-18(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)21(19,20)17-15/h3-10,15-17H,1-2H3
InChIKeyCUBPQYMSPOTCSW-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.16
Rot. Bonds2

About 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline

4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline (PubChem CID 11748701) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline
PubChem CID11748701
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2Nc3ccccc3S(=O)(=O)N2)cc1
InChIInChI=1S/C15H17N3O2S/c1-18(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)21(19,20)17-15/h3-10,15-17H,1-2H3
InChIKeyCUBPQYMSPOTCSW-UHFFFAOYSA-N
XLogP2.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline with MolForge

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Related Compounds

Caldaret
CID 6433076
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
2H-1,2,4-Benzothiadiazine, 3,4-dihydro-, 1,1-dioxide
CID 120220
6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide)
CID 134828072
4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 16732615
4-(2-{[4-(Dimethylamino)benzyl]amino}ethyl)benzenesulfonamide hydrochloride
CID 4723880
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-methyl-, 1,1-dioxide
CID 10081897
4-methyl-N-(4-(4-phenylpiperazin-1-yl)butyl)benzenesulfonamide
CID 11740935
1-Benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea
CID 66611088
4-Cyclopropyl-1,1-dioxo-2,3-dihydro-1lambda6,2,4-benzothiadiazine-7-carbonitrile
CID 67530629

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline (CID 11748701) is 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2Nc3ccccc3S(=O)(=O)N2)cc1.
What is the InChIKey of 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline?
The InChIKey is CUBPQYMSPOTCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-18(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)21(19,20)17-15/h3-10,15-17H,1-2H3.
What are the key properties of 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline?
4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline has a molecular weight of 303.39 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline is sourced from PubChem (CID 11748701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).