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

C14H12ClNS — CID 13071524

IUPAC2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESClc1ccc(C2CNc3ccccc3S2)cc1
InChIInChI=1S/C14H12ClNS/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-8,14,16H,9H2
InChIKeyISPNBZNDOKFUNY-UHFFFAOYSA-N
MW261.78 g/mol
LogP4.60
Rot. Bonds1

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

2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 13071524) has the molecular formula C14H12ClNS and a molecular weight of 261.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID13071524
Molecular FormulaC14H12ClNS
Molecular Weight261.78 g/mol
Exact Mass261.04
IUPAC Name2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESClc1ccc(C2CNc3ccccc3S2)cc1
InChIInChI=1S/C14H12ClNS/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-8,14,16H,9H2
InChIKeyISPNBZNDOKFUNY-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine (CID 13071524) is 2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine is Clc1ccc(C2CNc3ccccc3S2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is ISPNBZNDOKFUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNS/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-8,14,16H,9H2.
What are the key properties of 2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine?
2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 261.78 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 13071524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).