4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine

C15H14ClNO2S2 — CID 110713072

IUPAC4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCSc2ccccc21
InChIInChI=1S/C15H14ClNO2S2/c16-13-6-2-1-5-12(13)11-21(18,19)17-9-10-20-15-8-4-3-7-14(15)17/h1-8H,9-11H2
InChIKeySUMDTZUOUMFFIV-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.78
Rot. Bonds3

About 4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine

4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine (PubChem CID 110713072) has the molecular formula C15H14ClNO2S2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine
PubChem CID110713072
Molecular FormulaC15H14ClNO2S2
Molecular Weight339.87 g/mol
Exact Mass339.02
IUPAC Name4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCSc2ccccc21
InChIInChI=1S/C15H14ClNO2S2/c16-13-6-2-1-5-12(13)11-21(18,19)17-9-10-20-15-8-4-3-7-14(15)17/h1-8H,9-11H2
InChIKeySUMDTZUOUMFFIV-UHFFFAOYSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine (CID 110713072) is 4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine is O=S(=O)(Cc1ccccc1Cl)N1CCSc2ccccc21.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine?
The InChIKey is SUMDTZUOUMFFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S2/c16-13-6-2-1-5-12(13)11-21(18,19)17-9-10-20-15-8-4-3-7-14(15)17/h1-8H,9-11H2.
What are the key properties of 4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine?
4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine has a molecular weight of 339.87 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 110713072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).