N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide

C22H20N2O4S — CID 169373409

IUPACN-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc2[nH]c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3c(=O)c2c1
InChIInChI=1S/C22H20N2O4S/c1-3-28-16-7-11-20-19(13-16)22(25)18-10-6-15(12-21(18)23-20)24-29(26,27)17-8-4-14(2)5-9-17/h4-13,24H,3H2,1-2H3,(H,23,25)
InChIKeyLSOJSBMBQLZBOF-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.19
Rot. Bonds5

About N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide

N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide (PubChem CID 169373409) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide
PubChem CID169373409
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc2[nH]c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3c(=O)c2c1
InChIInChI=1S/C22H20N2O4S/c1-3-28-16-7-11-20-19(13-16)22(25)18-10-6-15(12-21(18)23-20)24-29(26,27)17-8-4-14(2)5-9-17/h4-13,24H,3H2,1-2H3,(H,23,25)
InChIKeyLSOJSBMBQLZBOF-UHFFFAOYSA-N
XLogP4.19
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(7-ethoxy-9-oxo-10H-acridin-3-yl)formamide
CID 168651298
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
2,7-diethoxy-10H-acridin-9-one
CID 163923657
(7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea
CID 169360017
6-(2,3-dihydroxypropylamino)-2-ethoxy-10H-acridin-9-one
CID 168593797
N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
CID 169372191
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52946231
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794

Frequently Asked Questions

What is the IUPAC name of N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide (CID 169373409) is N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide is CCOc1ccc2[nH]c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3c(=O)c2c1.
What is the InChIKey of N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is LSOJSBMBQLZBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-3-28-16-7-11-20-19(13-16)22(25)18-10-6-15(12-21(18)23-20)24-29(26,27)17-8-4-14(2)5-9-17/h4-13,24H,3H2,1-2H3,(H,23,25).
What are the key properties of N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide?
N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).