2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide

C21H16Cl2N2O3S — CID 143492304

IUPAC2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide
SMILESNC(=O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl2N2O3S/c22-17-10-9-13(11-18(17)23)29(27,28)25-19-8-4-3-6-15(19)14-5-1-2-7-16(14)20(25)12-21(24)26/h1-11,20H,12H2,(H2,24,26)
InChIKeyPLXQWVVIBFUAFN-UHFFFAOYSA-N
MW447.34 g/mol
LogP4.79
Rot. Bonds4

About 2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide

2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide (PubChem CID 143492304) has the molecular formula C21H16Cl2N2O3S and a molecular weight of 447.34 g/mol. Its IUPAC name is 2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide
PubChem CID143492304
Molecular FormulaC21H16Cl2N2O3S
Molecular Weight447.34 g/mol
Exact Mass446.03
IUPAC Name2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide
SMILESNC(=O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl2N2O3S/c22-17-10-9-13(11-18(17)23)29(27,28)25-19-8-4-3-6-15(19)14-5-1-2-7-16(14)20(25)12-21(24)26/h1-11,20H,12H2,(H2,24,26)
InChIKeyPLXQWVVIBFUAFN-UHFFFAOYSA-N
XLogP4.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[[2-[[2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetyl]amino]acetyl]amino]methyl]piperidine-1-carboxylate
CID 67437272
2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]-N-[3-(4-pyrimidin-4-ylpiperazin-1-yl)propyl]acetamide
CID 142695836
methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 67435881
ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 10717075
N-[2-(4-cyanophenyl)ethyl]-2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-6H-phenanthridin-6-yl]acetamide
CID 142786269
1-[6-(4-methylphenyl)sulfonyl-5H-benzo[h][1,6]naphthyridin-5-yl]propan-2-one
CID 122399507
2-[5-(3,4-dichlorophenyl)sulfonyl-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
CID 23627521
N-[2-(4-aminophenyl)ethyl]-2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 11284009
methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate
CID 174561457
2,2-bis[5-(3,4-dichlorophenyl)sulfonyl-8,10-dimethoxy-6H-phenanthridin-6-yl]acetic acid
CID 87401876
N-[2-[4-(3-aminopropyl)phenyl]ethyl]-2-[1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 11180676
[1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl] propanoate
CID 91366680

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide?
The IUPAC name of 2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide (CID 143492304) is 2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide.
What is the SMILES notation for 2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide?
The canonical SMILES for 2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide is NC(=O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide?
The InChIKey is PLXQWVVIBFUAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3S/c22-17-10-9-13(11-18(17)23)29(27,28)25-19-8-4-3-6-15(19)14-5-1-2-7-16(14)20(25)12-21(24)26/h1-11,20H,12H2,(H2,24,26).
What are the key properties of 2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide?
2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide has a molecular weight of 447.34 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide is sourced from PubChem (CID 143492304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).