N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide

C23H24N4O3S — CID 14421696

IUPACN-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide
SMILESCN(CCO)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C23H24N4O3S/c1-27(13-14-28)22-15-16(26-31(2,29)30)11-12-21(22)25-23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-12,15,26,28H,13-14H2,1-2H3,(H,24,25)
InChIKeyCIFCKHPVBBJPCG-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.93
Rot. Bonds7

About N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide

N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide (PubChem CID 14421696) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide
PubChem CID14421696
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide
SMILESCN(CCO)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C23H24N4O3S/c1-27(13-14-28)22-15-16(26-31(2,29)30)11-12-21(22)25-23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-12,15,26,28H,13-14H2,1-2H3,(H,24,25)
InChIKeyCIFCKHPVBBJPCG-UHFFFAOYSA-N
XLogP3.93
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide
CID 90674998
N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide
CID 10428796
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 86738977
[4-(acridin-9-ylamino)-3-(2-methoxyethyl)phenyl]sulfamoyl methanesulfonate
CID 155095239
2-[methyl-(2-methylquinolin-4-yl)amino]ethanol
CID 60716400
N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
CID 5488121
N-butyl-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;hydrochloride
CID 3054878
N-[4-(acridin-9-ylamino)phenyl]-N-methylsulfonylbutanamide;hydrochloride
CID 90675330
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
CID 174841228
6-[[9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carbonyl]amino]hexyl methanesulfonate;hydrochloride
CID 3054885
2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol
CID 80773437
N-[1-[4-(methanesulfonamido)anilino]acridin-3-yl]acetamide
CID 20976146

Frequently Asked Questions

What is the IUPAC name of N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide (CID 14421696) is N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide is CN(CCO)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide?
The InChIKey is CIFCKHPVBBJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-27(13-14-28)22-15-16(26-31(2,29)30)11-12-21(22)25-23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-12,15,26,28H,13-14H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide?
N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 14421696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).