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Chemical ID: 6213841

Cc1cc(c(c(c1)C)S(=O)(=O)N=C2C=C(C(=O)c3c2cccc3)Nc4ccc(cc4)O)C

Chemical ID:

6213841

Name [?]:

N-[3-(4-hydroxyphenyl)amino-4-oxo-1-naphthylidene]-2,4,6-trimethyl-benzenesulfonamide

SMILES [?]:

Cc1cc(c(c(c1)C)S(=O)(=O)N=C2C=C(C(=O)c3c2cccc3)Nc4ccc(cc4)O)C

InChi [?]:

InChI=1/C25H22N2O4S/c1-15-12-16(2)25(17(3)13-15)32(30,31)27-22-14-23(26-18-8-10-19(28)11-9-18)24(29)21-7-5-4-6-20(21)22/h4-14,26,28H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,32,21,22,20,23,26,30,27,29,7,3,14,2,6,4,25,28,19,18,13,15,16,5,24,12,31,17,10,11,9/E:(2,3)(8,9)(10,11)(12,13)(16,17)(30,31)/CRV:32.6/rA:32nCCCCCCCCSOONCCCCOCCCCCCNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;w12;s13;d14;s15;d16;s16;s13s18;d19;s20;d21;d18s22;s15;s24;s25;d26;s27;d28;d25s29;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₂O₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8115
Area:	648.112
Solvation:	-3.39128
Coulombic:	-45.0991

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	446.519
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.89
LogP (Chemaxon):	5.71

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

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Chemical Mix	Source	External ID	Descriptor	Value