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Chemical ID: 5458372

Cc1cc(c2ccccc2n1)NC(=O)c3ccccc3NS(=O)(=O)c4cccs4

Chemical ID:

5458372

Name [?]:

N-(2-methyl-4-quinolyl)-2-(2-thienylsulfonylamino)benzamide

SMILES [?]:

Cc1cc(c2ccccc2n1)NC(=O)c3ccccc3NS(=O)(=O)c4cccs4

InChi [?]:

InChI=1/C21H17N3O3S2/c1-14-13-19(15-7-2-4-9-17(15)22-14)23-21(25)16-8-3-5-10-18(16)24-29(26,27)20-11-6-12-28-20/h2-13,24H,1H3,(H,22,23,25)

InChi Info:

AuxInfo=1/1/N:1,7,17,8,18,27,6,16,9,19,26,28,3,2,5,15,10,20,4,25,13,11,12,21,14,23,24,29,22/E:(26,27)/CRV:29.6/rA:29nCCCCCCCCCCNNCOCCCCCCNSOOCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s4;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;d22;d22;s22;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇N₃O₃S₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8446
Area:	605.628
Solvation:	-3.29613
Coulombic:	-40.4986

Bond Count [?]

All:	32
Single:	19
Double:	13
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	423.51
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.59
LogP (Chemaxon):	3.04

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