N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride

C70H75Cl3I3N11O11S2 — CID 160900996

IUPACN-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1cccc2c(Cl)c3cccc(I)c3nc12.CCN(CC)CCNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(I)c3nc12.COc1cc(NS(C)(=O)=O)ccc1N.Cl.Cl.O=C(O)c1cccc2c(=O)c3cccc(I)c3[nH]c12
InChIInChI=1S/C28H32IN5O4S.C20H21ClIN3O.C14H8INO3.C8H12N2O3S.2ClH/c1-5-34(6-2)16-15-30-28(35)21-11-7-9-19-25(20-10-8-12-22(29)27(20)32-26(19)21)31-23-14-13-18(17-24(23)38-3)33-39(4,36)37;1-3-25(4-2)12-11-23-20(26)15-9-5-7-13-17(21)14-8-6-10-16(22)19(14)24-18(13)15;15-10-6-2-4-8-12(10)16-11-7(13(8)17)3-1-5-9(11)14(18)19;1-13-8-5-6(3-4-7(8)9)10-14(2,11)12;;/h7-14,17,33H,5-6,15-16H2,1-4H3,(H,30,35)(H,31,32);5-10H,3-4,11-12H2,1-2H3,(H,23,26);1-6H,(H,16,17)(H,18,19);3-5,10H,9H2,1-2H3;2*1H
InChIKeyXKLYWZDNNASXPX-UHFFFAOYSA-N
MW1797.64 g/mol
LogP14.38
Rot. Bonds21

About N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride

N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride (PubChem CID 160900996) has the molecular formula C70H75Cl3I3N11O11S2 and a molecular weight of 1797.64 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride
PubChem CID160900996
Molecular FormulaC70H75Cl3I3N11O11S2
Molecular Weight1797.64 g/mol
Exact Mass1795.13
IUPAC NameN-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1cccc2c(Cl)c3cccc(I)c3nc12.CCN(CC)CCNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(I)c3nc12.COc1cc(NS(C)(=O)=O)ccc1N.Cl.Cl.O=C(O)c1cccc2c(=O)c3cccc(I)c3[nH]c12
InChIInChI=1S/C28H32IN5O4S.C20H21ClIN3O.C14H8INO3.C8H12N2O3S.2ClH/c1-5-34(6-2)16-15-30-28(35)21-11-7-9-19-25(20-10-8-12-22(29)27(20)32-26(19)21)31-23-14-13-18(17-24(23)38-3)33-39(4,36)37;1-3-25(4-2)12-11-23-20(26)15-9-5-7-13-17(21)14-8-6-10-16(22)19(14)24-18(13)15;15-10-6-2-4-8-12(10)16-11-7(13(8)17)3-1-5-9(11)14(18)19;1-13-8-5-6(3-4-7(8)9)10-14(2,11)12;;/h7-14,17,33H,5-6,15-16H2,1-4H3,(H,30,35)(H,31,32);5-10H,3-4,11-12H2,1-2H3,(H,23,26);1-6H,(H,16,17)(H,18,19);3-5,10H,9H2,1-2H3;2*1H
InChIKeyXKLYWZDNNASXPX-UHFFFAOYSA-N
XLogP14.38
TPSA309.47 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001797.64
LogP ≤ 514.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride with MolForge

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Related Compounds

N-butyl-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;hydrochloride
CID 3054878
6-[[9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carbonyl]amino]hexyl methanesulfonate;hydrochloride
CID 3054885
N-(dimethylphosphorylmethyl)-9-[4-(methanesulfonamido)-2-methoxyanilino]-5-methylacridine-4-carboxamide
CID 59835634
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide
CID 70658321
[5-[[4-[2-(dimethylamino)ethylcarbamoyl]-5-methoxyacridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 90811123
bis(N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide);2-(3-iodo-2-methoxycarbonylanilino)benzoic acid;methyl 2-amino-6-iodobenzoate;methyl 3-iodo-9-oxo-10H-acridine-4-carboxylate;2-phenyliodoniobenzoate;sulfuric acid;hydrochloride
CID 159063199
N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide
CID 90674998
N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
CID 5488121
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxy-3-methylbenzamide
CID 12790647
N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
CID 44587791
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride?
The IUPAC name of N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride (CID 160900996) is N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride is CCN(CC)CCNC(=O)c1cccc2c(Cl)c3cccc(I)c3nc12.CCN(CC)CCNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(I)c3nc12.COc1cc(NS(C)(=O)=O)ccc1N.Cl.Cl.O=C(O)c1cccc2c(=O)c3cccc(I)c3[nH]c12.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride?
The InChIKey is XKLYWZDNNASXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32IN5O4S.C20H21ClIN3O.C14H8INO3.C8H12N2O3S.2ClH/c1-5-34(6-2)16-15-30-28(35)21-11-7-9-19-25(20-10-8-12-22(29)27(20)32-26(19)21)31-23-14-13-18(17-24(23)38-3)33-39(4,36)37;1-3-25(4-2)12-11-23-20(26)15-9-5-7-13-17(21)14-8-6-10-16(22)19(14)24-18(13)15;15-10-6-2-4-8-12(10)16-11-7(13(8)17)3-1-5-9(11)14(18)19;1-13-8-5-6(3-4-7(8)9)10-14(2,11)12;;/h7-14,17,33H,5-6,15-16H2,1-4H3,(H,30,35)(H,31,32);5-10H,3-4,11-12H2,1-2H3,(H,23,26);1-6H,(H,16,17)(H,18,19);3-5,10H,9H2,1-2H3;2*1H.
What are the key properties of N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride?
N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride has a molecular weight of 1797.64 g/mol, XLogP of 14.38, 21 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)methanesulfonamide;9-chloro-N-[2-(diethylamino)ethyl]-5-iodoacridine-4-carboxamide;N-[2-(diethylamino)ethyl]-5-iodo-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;5-iodo-9-oxo-10H-acridine-4-carboxylic acid;dihydrochloride is sourced from PubChem (CID 160900996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).