8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid

C14H8F3NO2S — CID 23647

IUPAC8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1cc(C(F)(F)F)ccc1S2
InChIInChI=1S/C14H8F3NO2S/c15-14(16,17)7-4-5-10-9(6-7)18-12-8(13(19)20)2-1-3-11(12)21-10/h1-6,18H,(H,19,20)
InChIKeyWXIGSVFQTLVMQM-UHFFFAOYSA-N
MW311.28 g/mol
LogP4.61
Rot. Bonds1

About 8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid

8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid (PubChem CID 23647) has the molecular formula C14H8F3NO2S and a molecular weight of 311.28 g/mol. Its IUPAC name is 8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid.

Molecular Properties

Compound Name8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid
PubChem CID23647
Molecular FormulaC14H8F3NO2S
Molecular Weight311.28 g/mol
Exact Mass311.02
IUPAC Name8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1cc(C(F)(F)F)ccc1S2
InChIInChI=1S/C14H8F3NO2S/c15-14(16,17)7-4-5-10-9(6-7)18-12-8(13(19)20)2-1-3-11(12)21-10/h1-6,18H,(H,19,20)
InChIKeyWXIGSVFQTLVMQM-UHFFFAOYSA-N
XLogP4.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
CID 3507590
3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
CID 760993
Anthranilic acid, N-(p-((difluoromethyl)thio)phenyl)-
CID 2060602
Anthranilic acid, N-(p-(trifluoromethylthio)phenyl)-
CID 3040098
2-[(10H-phenothiazin-10-ylcarbonyl)amino]benzoic acid
CID 1143971
Anthranilic acid, N-(p-(trifluoromethylsulfonyl)phenyl)-
CID 199792
Anthranilic acid, N-(m-(trifluoromethylthio)phenyl)-
CID 218607
2-{[4-(Phenylsulfanyl)phenyl]amino}benzoic acid
CID 44520995
2-(2-Phenylsulfanylanilino)benzoic acid
CID 44521004
2-{4-[(Trifluoromethyl)sulfanyl]benzamido}benzoic acid
CID 45340909
5-Fluoro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid
CID 162644268
Anthranilic acid, N-(2-methyl-5-(trifluoromethylsulfonyl)phenyl)-
CID 3040099

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid?
The IUPAC name of 8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid (CID 23647) is 8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid.
What is the SMILES notation for 8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid?
The canonical SMILES for 8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid is O=C(O)c1cccc2c1Nc1cc(C(F)(F)F)ccc1S2.
What is the InChIKey of 8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid?
The InChIKey is WXIGSVFQTLVMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO2S/c15-14(16,17)7-4-5-10-9(6-7)18-12-8(13(19)20)2-1-3-11(12)21-10/h1-6,18H,(H,19,20).
What are the key properties of 8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid?
8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid has a molecular weight of 311.28 g/mol, XLogP of 4.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-10H-phenothiazine-1-carboxylic acid is sourced from PubChem (CID 23647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).