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

C14H12ClNO2S2 — CID 4794629

IUPAC4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCSc2ccccc21
InChIInChI=1S/C14H12ClNO2S2/c15-11-4-3-5-12(10-11)20(17,18)16-8-9-19-14-7-2-1-6-13(14)16/h1-7,10H,8-9H2
InChIKeyLOAMAXWQGRCEGV-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.64
Rot. Bonds2

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

4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 4794629) has the molecular formula C14H12ClNO2S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
PubChem CID4794629
Molecular FormulaC14H12ClNO2S2
Molecular Weight325.84 g/mol
Exact Mass325.00
IUPAC Name4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCSc2ccccc21
InChIInChI=1S/C14H12ClNO2S2/c15-11-4-3-5-12(10-11)20(17,18)16-8-9-19-14-7-2-1-6-13(14)16/h1-7,10H,8-9H2
InChIKeyLOAMAXWQGRCEGV-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine (CID 4794629) is 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine is O=S(=O)(c1cccc(Cl)c1)N1CCSc2ccccc21.
What is the InChIKey of 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is LOAMAXWQGRCEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S2/c15-11-4-3-5-12(10-11)20(17,18)16-8-9-19-14-7-2-1-6-13(14)16/h1-7,10H,8-9H2.
What are the key properties of 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 325.84 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 4794629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).