Chemical ID: 5513449

Cc1ccc(c(c1)S(=O)(=O)Nc2ccccc2Cc3ccccc3)C
Chemical ID:
5513449
Name [?]:
N-(2-benzylphenyl)-2,5-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)Nc2ccccc2Cc3ccccc3)C
InChi [?]:
InChI=1/C21H21NO2S/c1-16-12-13-17(2)21(14-16)25(23,24)22-20-11-7-6-10-19(20)15-18-8-4-3-5-9-18/h3-14,22H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,22,21,23,15,14,20,24,16,13,3,4,7,18,2,5,19,17,12,6,11,9,10,8/E:(4,5)(8,9)(23,24)/CRV:25.6/rA:25nCCCCCCCSOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;d20;s21;d22;d19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8174
Area:523.894
Solvation:-2.27995
Coulombic:-15.6397
Bond Count [?]
All:27
Single:16
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:351.463
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.13
LogP (Chemaxon):5.62

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Descriptor Annotations

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