Chemical ID: 5584946

CCOc1ccc(cc1)S(=O)(=O)Nc2ccccc2Cc3ccccc3
Chemical ID:
5584946
Name [?]:
N-(2-benzylphenyl)-4-ethoxy-benzenesulfonamide
SMILES [?]:
CCOc1ccc(cc1)S(=O)(=O)Nc2ccccc2Cc3ccccc3
InChi [?]:
InChI=1/C21H21NO3S/c1-2-25-19-12-14-20(15-13-19)26(23,24)22-21-11-7-6-10-18(21)16-17-8-4-3-5-9-17/h3-15,22H,2,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,24,23,25,17,16,22,26,18,15,5,9,6,8,20,21,19,4,7,14,13,11,12,3,10/E:(4,5)(8,9)(12,13)(14,15)(23,24)/CRV:26.6/rA:26nCCOCCCCCCSOONCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.72479
Area:524.194
Solvation:-3.38006
Coulombic:-22.3238
Bond Count [?]
All:28
Single:17
Double:11
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.462
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):4.78

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Descriptor Annotations

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