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Chemical ID: 4071122
Chemical ID:
4071122
Name [?]:
4-cyano-N-(cyclohexylmethyl)benzenesulfonamide
SMILES [?]:
c1cc(ccc1C#N)S(=O)(=O)NCC2CCCCC2
InChi [?]:
InChI=1/C14H18N2O2S/c15-10-12-6-8-14(9-7-12)19(17,18)16-11-13-4-2-1-3-5-13/h6-9,13,16H,1-5,11H2
InChi Info:
AuxInfo=1/0/N:17,16,18,15,19,1,5,2,4,7,13,6,14,3,8,12,10,11,9/E:(2,3)(4,5)(6,7)(8,9)(17,18)/CRV:19.6/rA:19nCCCCCCCNSOONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;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: | 9.77076 |
Area: | 480.517 |
Solvation: | -2.24216 |
Coulombic: | -16.6896 |
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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