Chemical ID: 4071122

c1cc(ccc1C#N)S(=O)(=O)NCC2CCCCC2
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

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Descriptor Annotations

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