(4-chlorophenyl) phenothiazine-10-carboxylate

C19H12ClNO2S — CID 16645663

IUPAC(4-chlorophenyl) phenothiazine-10-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12ClNO2S/c20-13-9-11-14(12-10-13)23-19(22)21-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)21/h1-12H
InChIKeyOTLLKYSWTVZPOJ-UHFFFAOYSA-N
MW353.83 g/mol
LogP6.14
Rot. Bonds1

About (4-chlorophenyl) phenothiazine-10-carboxylate

(4-chlorophenyl) phenothiazine-10-carboxylate (PubChem CID 16645663) has the molecular formula C19H12ClNO2S and a molecular weight of 353.83 g/mol. Its IUPAC name is (4-chlorophenyl) phenothiazine-10-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) phenothiazine-10-carboxylate
PubChem CID16645663
Molecular FormulaC19H12ClNO2S
Molecular Weight353.83 g/mol
Exact Mass353.03
IUPAC Name(4-chlorophenyl) phenothiazine-10-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12ClNO2S/c20-13-9-11-14(12-10-13)23-19(22)21-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)21/h1-12H
InChIKeyOTLLKYSWTVZPOJ-UHFFFAOYSA-N
XLogP6.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.83
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl) phenothiazine-10-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) phenothiazine-10-carboxylate?
The IUPAC name of (4-chlorophenyl) phenothiazine-10-carboxylate (CID 16645663) is (4-chlorophenyl) phenothiazine-10-carboxylate.
What is the SMILES notation for (4-chlorophenyl) phenothiazine-10-carboxylate?
The canonical SMILES for (4-chlorophenyl) phenothiazine-10-carboxylate is O=C(Oc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (4-chlorophenyl) phenothiazine-10-carboxylate?
The InChIKey is OTLLKYSWTVZPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO2S/c20-13-9-11-14(12-10-13)23-19(22)21-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)21/h1-12H.
What are the key properties of (4-chlorophenyl) phenothiazine-10-carboxylate?
(4-chlorophenyl) phenothiazine-10-carboxylate has a molecular weight of 353.83 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) phenothiazine-10-carboxylate is sourced from PubChem (CID 16645663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).