Chemical ID: 6361921

Cc1ccc(cc1)S(=O)(=O)Nc2c(cccc2C(C)C)C
Chemical ID:
6361921
Name [?]:
N-(2-isopropyl-6-methyl-phenyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2c(cccc2C(C)C)C
InChi [?]:
InChI=1/C17H21NO2S/c1-12(2)16-7-5-6-14(4)17(16)18-21(19,20)15-10-8-13(3)9-11-15/h5-12,18H,1-4H3
InChi Info:
AuxInfo=1/0/N:19,20,1,21,15,14,16,3,7,4,6,18,2,13,5,17,12,11,9,10,8/E:(1,2)(8,9)(10,11)(19,20)/CRV:21.6/rA:21nCCCCCCCSOONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s18;s18;s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.092
Area:467.697
Solvation:-1.60042
Coulombic:-14.7964
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:303.42
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):4.74

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Descriptor Annotations

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