4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine

C15H15NO2S2 — CID 3715624

IUPAC4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
SMILESCc1ccc(S(=O)(=O)N2CCSc3ccccc32)cc1
InChIInChI=1S/C15H15NO2S2/c1-12-6-8-13(9-7-12)20(17,18)16-10-11-19-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3
InChIKeyDWEIFPISVLXERN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.30
Rot. Bonds2

About 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine

4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 3715624) has the molecular formula C15H15NO2S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
PubChem CID3715624
Molecular FormulaC15H15NO2S2
Molecular Weight305.42 g/mol
Exact Mass305.05
IUPAC Name4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
SMILESCc1ccc(S(=O)(=O)N2CCSc3ccccc32)cc1
InChIInChI=1S/C15H15NO2S2/c1-12-6-8-13(9-7-12)20(17,18)16-10-11-19-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3
InChIKeyDWEIFPISVLXERN-UHFFFAOYSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine (CID 3715624) is 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine is Cc1ccc(S(=O)(=O)N2CCSc3ccccc32)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is DWEIFPISVLXERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S2/c1-12-6-8-13(9-7-12)20(17,18)16-10-11-19-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 305.42 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 3715624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).