4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide

C20H16N2O4S — CID 155560288

IUPAC4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4ccccc4c3c2)cc1
InChIInChI=1S/C20H16N2O4S/c1-26-14-7-9-15(10-8-14)27(24,25)22-13-6-11-19-18(12-13)16-4-2-3-5-17(16)20(23)21-19/h2-12,22H,1H3,(H,21,23)
InChIKeyWNGCKQYAOPWPOK-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.49
Rot. Bonds4

About 4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide

4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (PubChem CID 155560288) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
PubChem CID155560288
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4ccccc4c3c2)cc1
InChIInChI=1S/C20H16N2O4S/c1-26-14-7-9-15(10-8-14)27(24,25)22-13-6-11-19-18(12-13)16-4-2-3-5-17(16)20(23)21-19/h2-12,22H,1H3,(H,21,23)
InChIKeyWNGCKQYAOPWPOK-UHFFFAOYSA-N
XLogP3.49
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
CID 145829182
4-methoxy-N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7161333
N-(4-{[(4-methoxyphenyl)amino]sulfonyl}naphthyl)benzamide
CID 3384970
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-6-methyl-benzamide
CID 21310934
5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
CID 155533716
2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
CID 155569554
N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
CID 162657414
2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide
CID 162662428
N-(3-anilino-4-oxonaphthalen-1-ylidene)-4-methoxybenzenesulfonamide
CID 1184117
N-(3-acetylphenyl)-1-[(4-methoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 1209910
N-(3-acetylphenyl)-1-[(4-methoxyphenyl)sulfonyl]-3-piperidinecarboxamide
CID 2979389

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (CID 155560288) is 4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4ccccc4c3c2)cc1.
What is the InChIKey of 4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The InChIKey is WNGCKQYAOPWPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-26-14-7-9-15(10-8-14)27(24,25)22-13-6-11-19-18(12-13)16-4-2-3-5-17(16)20(23)21-19/h2-12,22H,1H3,(H,21,23).
What are the key properties of 4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 155560288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).