Chemical ID: 4078269

c1ccc(c(c1)C#N)S(=O)(=O)NCC2CCCCC2
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

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