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Chemical ID: 4078269
Chemical ID:
4078269
Name [?]:
2-cyano-N-(cyclohexylmethyl)benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)C#N)S(=O)(=O)NCC2CCCCC2
InChi [?]:
InChI=1/C14H18N2O2S/c15-10-13-8-4-5-9-14(13)19(17,18)16-11-12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,11H2
InChi Info:
AuxInfo=1/0/N:17,16,18,1,2,15,19,6,3,7,13,14,5,4,8,12,10,11,9/E:(2,3)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCNSOONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;d9;d9;s9;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05587 |
Area: | 445.787 |
Solvation: | -2.0888 |
Coulombic: | -16.8536 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 278.371 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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