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Chemical ID: 4041283
Chemical ID:
4041283
Name [?]:
N,4-diethyl-N-(m-tolyl)benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)N(CC)c2cccc(c2)C
InChi [?]:
InChI=1/C17H21NO2S/c1-4-15-9-11-17(12-10-15)21(19,20)18(5-2)16-8-6-7-14(3)13-16/h6-13H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,21,2,13,17,18,16,4,8,5,7,20,19,3,15,6,12,10,11,9/E:(9,10)(11,12)(19,20)/CRV:21.6/rA:21cCCCCCCCCSOONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s12;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7853 |
Area: | 500.774 |
Solvation: | -1.73406 |
Coulombic: | -10.1799 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.42 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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