7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one

C17H15ClN2OS — CID 59485337

IUPAC7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one
SMILESCCCN(c1ccccc1)c1nc(=O)c2ccc(Cl)cc2s1
InChIInChI=1S/C17H15ClN2OS/c1-2-10-20(13-6-4-3-5-7-13)17-19-16(21)14-9-8-12(18)11-15(14)22-17/h3-9,11H,2,10H2,1H3
InChIKeyUKKCBNZXEHGMOJ-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.86
Rot. Bonds4

About 7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one

7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one (PubChem CID 59485337) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one
PubChem CID59485337
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one
SMILESCCCN(c1ccccc1)c1nc(=O)c2ccc(Cl)cc2s1
InChIInChI=1S/C17H15ClN2OS/c1-2-10-20(13-6-4-3-5-7-13)17-19-16(21)14-9-8-12(18)11-15(14)22-17/h3-9,11H,2,10H2,1H3
InChIKeyUKKCBNZXEHGMOJ-UHFFFAOYSA-N
XLogP4.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one?
The IUPAC name of 7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one (CID 59485337) is 7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one.
What is the SMILES notation for 7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one?
The canonical SMILES for 7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one is CCCN(c1ccccc1)c1nc(=O)c2ccc(Cl)cc2s1.
What is the InChIKey of 7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one?
The InChIKey is UKKCBNZXEHGMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-2-10-20(13-6-4-3-5-7-13)17-19-16(21)14-9-8-12(18)11-15(14)22-17/h3-9,11H,2,10H2,1H3.
What are the key properties of 7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one?
7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one has a molecular weight of 330.84 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(N-propylanilino)-1,3-benzothiazin-4-one is sourced from PubChem (CID 59485337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).