3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide

C28H20ClNO2S — CID 23096582

IUPAC3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C28H20ClNO2S/c29-22-6-3-5-20(16-22)28(32)30-23-9-11-24(12-10-23)33-17-27(31)19-8-13-26-21(15-19)14-18-4-1-2-7-25(18)26/h1-13,15-16H,14,17H2,(H,30,32)
InChIKeyMAIOCESYLLTCFE-UHFFFAOYSA-N
MW469.99 g/mol
LogP7.14
Rot. Bonds6

About 3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide

3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 23096582) has the molecular formula C28H20ClNO2S and a molecular weight of 469.99 g/mol. Its IUPAC name is 3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID23096582
Molecular FormulaC28H20ClNO2S
Molecular Weight469.99 g/mol
Exact Mass469.09
IUPAC Name3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C28H20ClNO2S/c29-22-6-3-5-20(16-22)28(32)30-23-9-11-24(12-10-23)33-17-27(31)19-8-13-26-21(15-19)14-18-4-1-2-7-25(18)26/h1-13,15-16H,14,17H2,(H,30,32)
InChIKeyMAIOCESYLLTCFE-UHFFFAOYSA-N
XLogP7.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.99
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 23097917
N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 22778319
N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 23096843
2-(4-chlorophenyl)sulfanyl-N-(9H-fluoren-2-yl)acetamide
CID 1284497
N-[(Z)-3-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylanilino]-1-(3-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783646
3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 23098901
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
(E)-4-[3-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18894841
1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
N-[(Z)-1-(2,4-dimethoxyphenyl)-3-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22783346
N-[5-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 1326310
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide (CID 23096582) is 3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide is O=C(CSc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is MAIOCESYLLTCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClNO2S/c29-22-6-3-5-20(16-22)28(32)30-23-9-11-24(12-10-23)33-17-27(31)19-8-13-26-21(15-19)14-18-4-1-2-7-25(18)26/h1-13,15-16H,14,17H2,(H,30,32).
What are the key properties of 3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide?
3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 469.99 g/mol, XLogP of 7.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 23096582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).