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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Related Compounds

CID 720097
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CID 2802738
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CID 2931012
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CID 4789030
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CID 749170
CID 749170
CID 121414092
CID 121414092
CID 141756137
CID 141756137
CID 645703
CID 645703
CID 893536
CID 893536
CID 977816
CID 977816
CID 1292276
CID 1292276
CID 2202721
CID 2202721

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).