8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide

C19H19N3O2S — CID 71567006

IUPAC8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide
SMILESCCc1ccc(-c2ccc3c(c2)-c2c(cnn2C)S(=O)(=O)N3C)cc1
InChIInChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
InChIKeyASUBFYXRDNJNOB-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.45
Rot. Bonds2

About 8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide

8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide (PubChem CID 71567006) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide.

Molecular Properties

Compound Name8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide
PubChem CID71567006
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide
SMILESCCc1ccc(-c2ccc3c(c2)-c2c(cnn2C)S(=O)(=O)N3C)cc1
InChIInChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3
InChIKeyASUBFYXRDNJNOB-UHFFFAOYSA-N
XLogP3.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide?
The IUPAC name of 8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide (CID 71567006) is 8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide.
What is the SMILES notation for 8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide?
The canonical SMILES for 8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide is CCc1ccc(-c2ccc3c(c2)-c2c(cnn2C)S(=O)(=O)N3C)cc1.
What is the InChIKey of 8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide?
The InChIKey is ASUBFYXRDNJNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-18(12-20-21(19)2)25(23,24)22(17)3/h5-12H,4H2,1-3H3.
What are the key properties of 8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide?
8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide has a molecular weight of 353.45 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide is sourced from PubChem (CID 71567006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).