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Chemical ID: 7224696

COc1cc(ccc1Nc2c3ccccc3[nH+]c4c2cccc4)NS(=O)(=O)C

Chemical ID:

7224696

Name [?]:

N-[4-(10H-acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide

SMILES [?]:

COc1cc(ccc1Nc2c3ccccc3[nH+]c4c2cccc4)NS(=O)(=O)C

InChi [?]:

InChI=1/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)/p+1

InChi Info:

AuxInfo=1/1/N:1,28,13,21,14,22,12,20,15,23,6,7,4,5,11,19,16,18,8,3,10,17,9,24,26,27,2,25/E:(3,4)(5,6)(7,8)(9,10)(15,16)(17,18)(25,26)/CRV:28.6/rA:28nCOCCCCCCNCCCCCCCN+CCCCCCNSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s19;d20;s21;s18d22;s5;s24;d25;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₃O₃S+
All Atoms:	48
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	-18.8155
Area:	578.389
Solvation:	-33.2752
Coulombic:	-24.3848

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.42
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value