7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one

C19H18N2O3S2 — CID 6624112

IUPAC7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)ccc2N1
InChIInChI=1S/C19H18N2O3S2/c22-19-13-25-18-12-16(6-7-17(18)20-19)26(23,24)21-10-8-15(9-11-21)14-4-2-1-3-5-14/h1-8,12H,9-11,13H2,(H,20,22)
InChIKeyGPDALZKVUBPOIE-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.21
Rot. Bonds3

About 7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one

7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one (PubChem CID 6624112) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one
PubChem CID6624112
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)ccc2N1
InChIInChI=1S/C19H18N2O3S2/c22-19-13-25-18-12-16(6-7-17(18)20-19)26(23,24)21-10-8-15(9-11-21)14-4-2-1-3-5-14/h1-8,12H,9-11,13H2,(H,20,22)
InChIKeyGPDALZKVUBPOIE-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one (CID 6624112) is 7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one is O=C1CSc2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)ccc2N1.
What is the InChIKey of 7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is GPDALZKVUBPOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c22-19-13-25-18-12-16(6-7-17(18)20-19)26(23,24)21-10-8-15(9-11-21)14-4-2-1-3-5-14/h1-8,12H,9-11,13H2,(H,20,22).
What are the key properties of 7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one?
7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 386.50 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 6624112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).