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Chemical ID: 6798516

CCCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N(C)c3ccc(cc3)OCC

Chemical ID:

6798516

Name [?]:

6-[(4-ethoxyphenyl)-methyl-sulfamoyl]-4-hydroxy-N-pentyl-quinoline-3-carboxamide

SMILES [?]:

CCCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N(C)c3ccc(cc3)OCC

InChi [?]:

InChI=1/C24H29N3O5S/c1-4-6-7-14-25-24(29)21-16-26-22-13-12-19(15-20(22)23(21)28)33(30,31)27(3)17-8-10-18(11-9-17)32-5-2/h8-13,15-16H,4-7,14H2,1-3H3,(H,25,29)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,33,24,2,32,3,4,26,30,27,29,14,13,5,16,10,25,28,15,17,9,12,18,7,6,11,23,19,8,21,22,31,20/E:(8,9)(10,11)(30,31)/CRV:33.6/rA:33cCCCCCNCOCCNCCCCCCCOSOONCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s18;s15;d20;d20;s20;s23;s23;s25;d26;s27;d28;d25s29;s28;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉N₃O₅S
All Atoms:	62
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2995
Area:	725.688
Solvation:	-5.84266
Coulombic:	-56.4282

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	471.57
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.07
LogP (Chemaxon):	3.9

Name Annotations

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

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