Chemical ID: 4067971

Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(C)(C)C
Chemical ID:
4067971
Name [?]:
4-methyl-N-(2-tert-butylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(C)(C)C
InChi [?]:
InChI=1/C17H21NO2S/c1-13-9-11-14(12-10-13)21(19,20)18-16-8-6-5-7-15(16)17(2,3)4/h5-12,18H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,21,15,14,16,13,3,7,4,6,2,5,17,12,18,11,9,10,8/E:(2,3,4)(9,10)(11,12)(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;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.95858
Area:465.612
Solvation:-1.68172
Coulombic:-15.0116
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:4.76
LogP (Chemaxon):4.7

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Descriptor Annotations

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