2-(phenothiazine-10-carbonylamino)benzoic acid

C20H14N2O3S — CID 1143971

IUPAC2-(phenothiazine-10-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H14N2O3S/c23-19(24)13-7-1-2-8-14(13)21-20(25)22-15-9-3-5-11-17(15)26-18-12-6-4-10-16(18)22/h1-12H,(H,21,25)(H,23,24)
InChIKeyPZGIBTDJKKBQHE-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.22
Rot. Bonds2

About 2-(phenothiazine-10-carbonylamino)benzoic acid

2-(phenothiazine-10-carbonylamino)benzoic acid (PubChem CID 1143971) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(phenothiazine-10-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(phenothiazine-10-carbonylamino)benzoic acid
PubChem CID1143971
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name2-(phenothiazine-10-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H14N2O3S/c23-19(24)13-7-1-2-8-14(13)21-20(25)22-15-9-3-5-11-17(15)26-18-12-6-4-10-16(18)22/h1-12H,(H,21,25)(H,23,24)
InChIKeyPZGIBTDJKKBQHE-UHFFFAOYSA-N
XLogP5.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(phenothiazine-10-carbonylamino)benzoic acid?
The IUPAC name of 2-(phenothiazine-10-carbonylamino)benzoic acid (CID 1143971) is 2-(phenothiazine-10-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(phenothiazine-10-carbonylamino)benzoic acid?
The canonical SMILES for 2-(phenothiazine-10-carbonylamino)benzoic acid is O=C(O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(phenothiazine-10-carbonylamino)benzoic acid?
The InChIKey is PZGIBTDJKKBQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-19(24)13-7-1-2-8-14(13)21-20(25)22-15-9-3-5-11-17(15)26-18-12-6-4-10-16(18)22/h1-12H,(H,21,25)(H,23,24).
What are the key properties of 2-(phenothiazine-10-carbonylamino)benzoic acid?
2-(phenothiazine-10-carbonylamino)benzoic acid has a molecular weight of 362.41 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenothiazine-10-carbonylamino)benzoic acid is sourced from PubChem (CID 1143971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).