N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide

C23H21N3O6S — CID 15645740

IUPACN-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide
SMILESCOc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cc4c(cc3nc2c1)OCO4
InChIInChI=1S/C23H21N3O6S/c1-29-14-5-6-15-18(9-14)24-19-11-22-21(31-12-32-22)10-16(19)23(15)25-17-7-4-13(8-20(17)30-2)26-33(3,27)28/h4-11,26H,12H2,1-3H3,(H,24,25)
InChIKeyWGRRGHRWRRVBCG-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.25
Rot. Bonds6

About N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide

N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide (PubChem CID 15645740) has the molecular formula C23H21N3O6S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide
PubChem CID15645740
Molecular FormulaC23H21N3O6S
Molecular Weight467.50 g/mol
Exact Mass467.12
IUPAC NameN-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide
SMILESCOc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cc4c(cc3nc2c1)OCO4
InChIInChI=1S/C23H21N3O6S/c1-29-14-5-6-15-18(9-14)24-19-11-22-21(31-12-32-22)10-16(19)23(15)25-17-7-4-13(8-20(17)30-2)26-33(3,27)28/h4-11,26H,12H2,1-3H3,(H,24,25)
InChIKeyWGRRGHRWRRVBCG-UHFFFAOYSA-N
XLogP4.25
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide
CID 90674998
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CID 44564091
N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
CID 5488121
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 86738977
N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide
CID 20504403
N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 22774071
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
CID 174841228
N-butyl-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;hydrochloride
CID 3054878
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
6-[[9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carbonyl]amino]hexyl methanesulfonate;hydrochloride
CID 3054885
4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine
CID 10616345

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide (CID 15645740) is N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide is COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cc4c(cc3nc2c1)OCO4.
What is the InChIKey of N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide?
The InChIKey is WGRRGHRWRRVBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6S/c1-29-14-5-6-15-18(9-14)24-19-11-22-21(31-12-32-22)10-16(19)23(15)25-17-7-4-13(8-20(17)30-2)26-33(3,27)28/h4-11,26H,12H2,1-3H3,(H,24,25).
What are the key properties of N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide?
N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide has a molecular weight of 467.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 15645740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).