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Chemical ID: 5474243

Cc1ccc(c(c1)C)NS(=O)(=O)c2cc(ccc2Cl)C(=O)N3CCN(CC3)c4ccccc4

Chemical ID:

5474243

Name [?]:

2-chloro-N-(2,4-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)carbonyl-benzenesulfonamide

SMILES [?]:

Cc1ccc(c(c1)C)NS(=O)(=O)c2cc(ccc2Cl)C(=O)N3CCN(CC3)c4ccccc4

InChi [?]:

InChI=1/C25H26ClN3O3S/c1-18-8-11-23(19(2)16-18)27-33(31,32)24-17-20(9-10-22(24)26)25(30)29-14-12-28(13-15-29)21-6-4-3-5-7-21/h3-11,16-17,27H,12-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,8,31,30,32,29,33,3,16,17,4,24,26,23,27,7,14,2,6,15,28,18,5,13,20,19,9,25,22,21,11,12,10/E:(4,5)(6,7)(12,13)(14,15)(31,32)/CRV:33.6/rA:33nCCCCCCCCNSOOCCCCCCClCONCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;s24;s25;s22s26;s25;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆ClN₃O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8513
Area:	680.492
Solvation:	-4.16103
Coulombic:	-36.4442

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	484.011
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.36
LogP (Chemaxon):	5.16

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

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

Chemical Mix	Source	External ID	Descriptor	Value