Chemical ID: 4686955

CC(C)CS(=O)(=O)N(C)Cc1ccccc1
Chemical ID:
4686955
Name [?]:
N-benzyl-N,2-dimethyl-propane-1-sulfonamide
SMILES [?]:
CC(C)CS(=O)(=O)N(C)Cc1ccccc1
InChi [?]:
InChI=1/C12H19NO2S/c1-11(2)10-16(14,15)13(3)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,9,14,13,15,12,16,10,4,2,11,8,6,7,5/E:(1,2)(5,6)(7,8)(14,15)/CRV:16.6/rA:16cCCCCSOONCCCCCCCC/rB:s1;s2;s2;s4;d5;d5;s5;s8;s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.96692
Area:408.052
Solvation:-2.23437
Coulombic:-7.66685
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:241.351
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.38
LogP (Chemaxon):2.23

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