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

C14H10ClNS — CID 34320165

IUPAC3-(4-chlorophenyl)-2H-1,4-benzothiazine
SMILESClc1ccc(C2=Nc3ccccc3SC2)cc1
InChIInChI=1S/C14H10ClNS/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8H,9H2
InChIKeyPZKFLUZJJAMIDB-UHFFFAOYSA-N
MW259.76 g/mol
LogP4.57
Rot. Bonds1

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

3-(4-chlorophenyl)-2H-1,4-benzothiazine (PubChem CID 34320165) has the molecular formula C14H10ClNS and a molecular weight of 259.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2H-1,4-benzothiazine
PubChem CID34320165
Molecular FormulaC14H10ClNS
Molecular Weight259.76 g/mol
Exact Mass259.02
IUPAC Name3-(4-chlorophenyl)-2H-1,4-benzothiazine
SMILESClc1ccc(C2=Nc3ccccc3SC2)cc1
InChIInChI=1S/C14H10ClNS/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8H,9H2
InChIKeyPZKFLUZJJAMIDB-UHFFFAOYSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

{2-[2-(4-Chloro-phenyl)-4-phenyl-2,3-dihydro-benzo[b][1,4]thiazepin-3-yl]-ethyl}-diethyl-amine
CID 44400855
2H-1,4-Benzothiazine, 3-phenyl-
CID 415876
11-Chlorodibenzo(b,f)(1,4)thiazepine
CID 10586481
11-(4-chlorophenyl)-12-phenyl-11a,12-dihydro-11H-indeno[2,1-c][1,5]benzothiazepine
CID 71462909
4-(4-Chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine
CID 4292374
2-[(4-Chlorobenzyl)thio]aniline
CID 4335831
6-(4-Chlorophenyl)-6a,7-dihydro-6H-indeno[2,1-c][1,5]benzothiazepine
CID 616921
2H-1,4-Benzothiazine, 3-(4-methylphenyl)-
CID 11413760
3-(4-fluorophenyl)-2H-1,4-benzothiazine
CID 44568430
1-[2-[(4-Chlorophenyl)methylsulfanyl]phenyl]guanidine
CID 54583701
2-(2,6-Dichlorophenyl)-4-methyl-2,3-dihydro-1,5-benzothiazepine
CID 367016
4-(2,4-Dichlorophenyl)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepine
CID 367017

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2H-1,4-benzothiazine?
The IUPAC name of 3-(4-chlorophenyl)-2H-1,4-benzothiazine (CID 34320165) is 3-(4-chlorophenyl)-2H-1,4-benzothiazine.
What is the SMILES notation for 3-(4-chlorophenyl)-2H-1,4-benzothiazine?
The canonical SMILES for 3-(4-chlorophenyl)-2H-1,4-benzothiazine is Clc1ccc(C2=Nc3ccccc3SC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2H-1,4-benzothiazine?
The InChIKey is PZKFLUZJJAMIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNS/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8H,9H2.
What are the key properties of 3-(4-chlorophenyl)-2H-1,4-benzothiazine?
3-(4-chlorophenyl)-2H-1,4-benzothiazine has a molecular weight of 259.76 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2H-1,4-benzothiazine is sourced from PubChem (CID 34320165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).