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Chemical ID: 5467759
Chemical ID:
5467759
Name [?]:
N-cycloheptyl-3,4-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1C)S(=O)(=O)NC2CCCCCC2
InChi [?]:
InChI=1/C15H23NO2S/c1-12-9-10-15(11-13(12)2)19(17,18)16-14-7-5-3-4-6-8-14/h9-11,14,16H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,17,15,18,14,19,3,4,6,2,7,13,5,12,10,11,9/E:(3,4)(5,6)(7,8)(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;s14;s15;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84372 |
Area: | 457.317 |
Solvation: | -1.58922 |
Coulombic: | -14.1315 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.415 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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