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Chemical ID: 7258664

Cc1csc(n1)NC(=O)c2cccc(c2)S(=O)(=O)N(Cc3ccccc3)c4ccccc4

Chemical ID:

7258664

Name [?]:

3-(benzyl-phenyl-sulfamoyl)-N-(4-methylthiazol-2-yl)-benzamide

SMILES [?]:

Cc1csc(n1)NC(=O)c2cccc(c2)S(=O)(=O)N(Cc3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C24H21N3O3S2/c1-18-17-31-24(25-18)26-23(28)20-11-8-14-22(15-20)32(29,30)27(21-12-6-3-7-13-21)16-19-9-4-2-5-10-19/h2-15,17H,16H2,1H3,(H,25,26,28)

InChi Info:

AuxInfo=1/1/N:1,24,30,23,25,29,31,12,22,26,11,28,32,13,15,20,3,2,21,10,27,14,8,5,6,7,19,9,17,18,4,16/E:(4,5)(6,7)(9,10)(12,13)(29,30)/CRV:32.6/rA:32cCCCSCNNCOCCCCCCSOONCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;d16;s16;s19;s20;s21;d22;s23;d24;d21s25;s19;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁N₃O₃S₂
All Atoms:	53
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	13.0094
Area:	672.232
Solvation:	-3.7964
Coulombic:	-36.8396

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	463.574
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.08
LogP (Chemaxon):	5.12

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