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Chemical ID: 5584946
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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