4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline

C15H16ClN3O2S — CID 10991347

IUPAC4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1
InChIInChI=1S/C15H16ClN3O2S/c1-19(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)22(20,21)18-15/h3-9,15,17-18H,1-2H3
InChIKeyCQDSIOOEDHNMMW-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.81
Rot. Bonds2

About 4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline

4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline (PubChem CID 10991347) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline
PubChem CID10991347
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1
InChIInChI=1S/C15H16ClN3O2S/c1-19(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)22(20,21)18-15/h3-9,15,17-18H,1-2H3
InChIKeyCQDSIOOEDHNMMW-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline (CID 10991347) is 4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1.
What is the InChIKey of 4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline?
The InChIKey is CQDSIOOEDHNMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-19(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)22(20,21)18-15/h3-9,15,17-18H,1-2H3.
What are the key properties of 4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline?
4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline has a molecular weight of 337.83 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline is sourced from PubChem (CID 10991347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).