(3-chlorophenyl) phenothiazine-10-carboxylate

C19H12ClNO2S — CID 24905653

IUPAC(3-chlorophenyl) phenothiazine-10-carboxylate
SMILESO=C(Oc1cccc(Cl)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12ClNO2S/c20-13-6-5-7-14(12-13)23-19(22)21-15-8-1-3-10-17(15)24-18-11-4-2-9-16(18)21/h1-12H
InChIKeyIXZXEECBRFSNPQ-UHFFFAOYSA-N
MW353.83 g/mol
LogP6.14
Rot. Bonds1

About (3-chlorophenyl) phenothiazine-10-carboxylate

(3-chlorophenyl) phenothiazine-10-carboxylate (PubChem CID 24905653) has the molecular formula C19H12ClNO2S and a molecular weight of 353.83 g/mol. Its IUPAC name is (3-chlorophenyl) phenothiazine-10-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl) phenothiazine-10-carboxylate
PubChem CID24905653
Molecular FormulaC19H12ClNO2S
Molecular Weight353.83 g/mol
Exact Mass353.03
IUPAC Name(3-chlorophenyl) phenothiazine-10-carboxylate
SMILESO=C(Oc1cccc(Cl)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H12ClNO2S/c20-13-6-5-7-14(12-13)23-19(22)21-15-8-1-3-10-17(15)24-18-11-4-2-9-16(18)21/h1-12H
InChIKeyIXZXEECBRFSNPQ-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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Related Compounds

Phenyl 10H-phenothiazine-10-carboxylate
CID 3773589
2-methoxyphenyl 10H-phenothiazine-10-carboxylate
CID 24905595
o-tolyl 10H-phenothiazine-10-carboxylate
CID 24905592
3-methoxyphenyl 10H-phenothiazine-10-carboxylate
CID 24905596
p-tolyl 10H-phenothiazine-10-carboxylate
CID 24905594
4-methoxyphenyl 10H-phenothiazine-10-carboxylate
CID 24905597
m-tolyl 10H-phenothiazine-10-carboxylate
CID 24905593
4-chlorophenyl 10H-phenothiazine-10-carboxylate
CID 16645663
3-(dimethylamino)phenyl 10H-phenothiazine-10-carboxylate
CID 24905654
2-Fluorophenyl phenothiazine-10-carboxylate
CID 692827
2-Chlorophenyl phenothiazine-10-carboxylate
CID 16645662
(4-methoxyphenyl) N-[3-(2-chlorophenothiazin-10-yl)propyl]carbamate
CID 122188427

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) phenothiazine-10-carboxylate?
The IUPAC name of (3-chlorophenyl) phenothiazine-10-carboxylate (CID 24905653) is (3-chlorophenyl) phenothiazine-10-carboxylate.
What is the SMILES notation for (3-chlorophenyl) phenothiazine-10-carboxylate?
The canonical SMILES for (3-chlorophenyl) phenothiazine-10-carboxylate is O=C(Oc1cccc(Cl)c1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (3-chlorophenyl) phenothiazine-10-carboxylate?
The InChIKey is IXZXEECBRFSNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO2S/c20-13-6-5-7-14(12-13)23-19(22)21-15-8-1-3-10-17(15)24-18-11-4-2-9-16(18)21/h1-12H.
What are the key properties of (3-chlorophenyl) phenothiazine-10-carboxylate?
(3-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 (3-chlorophenyl) phenothiazine-10-carboxylate is sourced from PubChem (CID 24905653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).