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Chemical ID: 7246992
Chemical ID:
7246992
Name [?]:
N-benzyl-N-(1-cyclopropylethyl)-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)N(Cc2ccccc2)C(C)C3CC3
InChi [?]:
InChI=1/C19H23NO2S/c1-15-7-6-10-19(13-15)23(21,22)20(16(2)18-11-12-18)14-17-8-4-3-5-9-17/h3-10,13,16,18H,11-12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,16,15,17,4,3,14,18,5,22,23,7,12,2,19,13,21,6,11,9,10,8/E:(4,5)(8,9)(11,12)(21,22)/CRV:23.6/rA:23cCCCCCCCSOONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;s19;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2S |
All Atoms: | 46 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.6802 |
Area: | 506.094 |
Solvation: | -1.97218 |
Coulombic: | -10.8691 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.457 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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