(2-chlorophenyl) phenothiazine-10-carboxylate

C19H12ClNO2S — CID 16645662

IUPAC(2-chlorophenyl) phenothiazine-10-carboxylate
SMILESO=C(Oc1ccccc1Cl)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12ClNO2S/c20-13-7-1-4-10-16(13)23-19(22)21-14-8-2-5-11-17(14)24-18-12-6-3-9-15(18)21/h1-12H
InChIKeySAPYBABKMFNJMT-UHFFFAOYSA-N
MW353.83 g/mol
LogP6.14
Rot. Bonds1

About (2-chlorophenyl) phenothiazine-10-carboxylate

(2-chlorophenyl) phenothiazine-10-carboxylate (PubChem CID 16645662) has the molecular formula C19H12ClNO2S and a molecular weight of 353.83 g/mol. Its IUPAC name is (2-chlorophenyl) phenothiazine-10-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl) phenothiazine-10-carboxylate
PubChem CID16645662
Molecular FormulaC19H12ClNO2S
Molecular Weight353.83 g/mol
Exact Mass353.03
IUPAC Name(2-chlorophenyl) phenothiazine-10-carboxylate
SMILESO=C(Oc1ccccc1Cl)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12ClNO2S/c20-13-7-1-4-10-16(13)23-19(22)21-14-8-2-5-11-17(14)24-18-12-6-3-9-15(18)21/h1-12H
InChIKeySAPYBABKMFNJMT-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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) phenothiazine-10-carboxylate?
The IUPAC name of (2-chlorophenyl) phenothiazine-10-carboxylate (CID 16645662) is (2-chlorophenyl) phenothiazine-10-carboxylate.
What is the SMILES notation for (2-chlorophenyl) phenothiazine-10-carboxylate?
The canonical SMILES for (2-chlorophenyl) phenothiazine-10-carboxylate is O=C(Oc1ccccc1Cl)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-chlorophenyl) phenothiazine-10-carboxylate?
The InChIKey is SAPYBABKMFNJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO2S/c20-13-7-1-4-10-16(13)23-19(22)21-14-8-2-5-11-17(14)24-18-12-6-3-9-15(18)21/h1-12H.
What are the key properties of (2-chlorophenyl) phenothiazine-10-carboxylate?
(2-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 (2-chlorophenyl) phenothiazine-10-carboxylate is sourced from PubChem (CID 16645662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).