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Chemical ID: 6666656
Chemical ID:
6666656
Name [?]:
3-amino-N-cyclohexyl-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NC2CCCCC2)N
InChi [?]:
InChI=1/C12H18N2O2S/c13-10-5-4-8-12(9-10)17(15,16)14-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,13H2
InChi Info:
AuxInfo=1/0/N:14,13,15,1,2,12,16,6,4,3,11,5,17,10,8,9,7/E:(2,3)(6,7)(15,16)/CRV:17.6/rA:17nCCCCCCSOONCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79013 |
Area: | 425.09 |
Solvation: | -1.83712 |
Coulombic: | -29.5499 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.35 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.88 |
LogP (Chemaxon): | 1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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