Chemical ID: 4068986

Cc1ccc(cc1)S(=O)(=O)NCCC(C)(C)C
Chemical ID:
4068986
Name [?]:
N-(3,3-dimethylbutyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCCC(C)(C)C
InChi [?]:
InChI=1/C13H21NO2S/c1-11-5-7-12(8-6-11)17(15,16)14-10-9-13(2,3)4/h5-8,14H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,16,17,3,7,4,6,13,12,2,5,14,11,9,10,8/E:(2,3,4)(5,6)(7,8)(15,16)/CRV:17.6/rA:17nCCCCCCCSOONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.63679
Area:451.188
Solvation:-1.6429
Coulombic:-14.2489
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.377
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.77
LogP (Chemaxon):3.36

Name Annotations

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Descriptor Annotations

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