2-chloro-N-(9-oxothioxanthen-2-yl)benzamide

C20H12ClNO2S — CID 3794832

IUPAC2-chloro-N-(9-oxothioxanthen-2-yl)benzamide
SMILESO=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccccc1Cl
InChIInChI=1S/C20H12ClNO2S/c21-16-7-3-1-5-13(16)20(24)22-12-9-10-18-15(11-12)19(23)14-6-2-4-8-17(14)25-18/h1-11H,(H,22,24)
InChIKeyGDNFHTMLVHWAQG-UHFFFAOYSA-N
MW365.84 g/mol
LogP5.32
Rot. Bonds2

About 2-chloro-N-(9-oxothioxanthen-2-yl)benzamide

2-chloro-N-(9-oxothioxanthen-2-yl)benzamide (PubChem CID 3794832) has the molecular formula C20H12ClNO2S and a molecular weight of 365.84 g/mol. Its IUPAC name is 2-chloro-N-(9-oxothioxanthen-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(9-oxothioxanthen-2-yl)benzamide
PubChem CID3794832
Molecular FormulaC20H12ClNO2S
Molecular Weight365.84 g/mol
Exact Mass365.03
IUPAC Name2-chloro-N-(9-oxothioxanthen-2-yl)benzamide
SMILESO=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccccc1Cl
InChIInChI=1S/C20H12ClNO2S/c21-16-7-3-1-5-13(16)20(24)22-12-9-10-18-15(11-12)19(23)14-6-2-4-8-17(14)25-18/h1-11H,(H,22,24)
InChIKeyGDNFHTMLVHWAQG-UHFFFAOYSA-N
XLogP5.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.84
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide
CID 1471787
N-(4-chlorophenyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 2335386
2-chloro-N-(7-methyl-9-oxo-2-thioxanthenyl)benzamide
CID 2765921
N-(9,10,10-trioxothioxanthen-2-yl)acetamide
CID 10040515
ThioCrom-31
CID 164617987
9-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione
CID 122192943
2-chloro-N-(4-phenylsulfanylphenyl)benzamide
CID 49843053
N-(3-acetylphenyl)-3-[(4-chlorophenyl)sulfanyl]propanamide
CID 895844
N-(9-oxo-9H-thioxanthen-2-yl)acetamide
CID 15399668
N-(3-benzoylphenyl)-2-chloro-6-fluorobenzamide
CID 2727985
N-{4-[(2-chlorophenyl)sulfanyl]phenyl}-4-fluorobenzenecarboxamide
CID 3729612
N-(9-oxo-9H-thioxanthen-2-yl)-3-(trifluoromethyl)benzenecarboxamide
CID 3842872

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(9-oxothioxanthen-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(9-oxothioxanthen-2-yl)benzamide (CID 3794832) is 2-chloro-N-(9-oxothioxanthen-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(9-oxothioxanthen-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(9-oxothioxanthen-2-yl)benzamide is O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(9-oxothioxanthen-2-yl)benzamide?
The InChIKey is GDNFHTMLVHWAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO2S/c21-16-7-3-1-5-13(16)20(24)22-12-9-10-18-15(11-12)19(23)14-6-2-4-8-17(14)25-18/h1-11H,(H,22,24).
What are the key properties of 2-chloro-N-(9-oxothioxanthen-2-yl)benzamide?
2-chloro-N-(9-oxothioxanthen-2-yl)benzamide has a molecular weight of 365.84 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(9-oxothioxanthen-2-yl)benzamide is sourced from PubChem (CID 3794832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).