Chemical ID: 6212541

CC1CCCCN1S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccccc3c4[nH]c5ccccc5n4
Chemical ID:
6212541
Name [?]:
N-[2-(1H-benzoimidazol-2-yl)phenyl]-4-[(2-methyl-1-piperidyl)sulfonyl]benzamide
SMILES [?]:
CC1CCCCN1S(=O)(=O)c2ccc(cc2)C(=O)Nc3ccccc3c4[nH]c5ccccc5n4
InChi [?]:
InChI=1/C26H26N4O3S/c1-18-8-6-7-17-30(18)34(32,33)20-15-13-19(14-16-20)26(31)29-22-10-3-2-9-21(22)25-27-23-11-4-5-12-24(23)28-25/h2-5,9-16,18H,6-8,17H2,1H3,(H,27,28)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,23,22,30,31,4,5,3,24,21,29,32,13,15,12,16,6,2,14,11,25,20,28,33,26,17,27,34,19,7,18,9,10,8/E:(4,5)(11,12)(13,14)(15,16)(23,24)(27,28)(32,33)/CRV:34.6/rA:34cCCCCCCNSOOCCCCCCCONCCCCCCCNCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;s27;s28;d29;s30;d31;d28s32;d26s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N4O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:13.2704
Area:664.528
Solvation:-3.34285
Coulombic:-48.109
Bond Count [?]
All:38
Single:25
Double:13
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:474.576
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.65
LogP (Chemaxon):5.16

Name Annotations

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Descriptor Annotations

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