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Chemical ID: 4039302
Chemical ID:
4039302
Name [?]:
4-chloro-N-cyclohexyl-benzenesulfonamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)NC2CCCCC2)Cl
InChi [?]:
InChI=1/C12H16ClNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
InChi Info:
AuxInfo=1/0/N:14,13,15,12,16,2,4,1,5,3,11,6,17,10,8,9,7/E:(2,3)(4,5)(6,7)(8,9)(15,16)/CRV:17.6/rA:17nCCCCCCSOONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36724 |
Area: | 441.621 |
Solvation: | -1.67329 |
Coulombic: | -13.999 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.78 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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