Chemical ID: 6637273

CCCCNS(=O)(=O)c1c(cc(cc1C)C)C
Chemical ID:
6637273
Name [?]:
N-butyl-2,4,6-trimethyl-benzenesulfonamide
SMILES [?]:
CCCCNS(=O)(=O)c1c(cc(cc1C)C)C
InChi [?]:
InChI=1/C13H21NO2S/c1-5-6-7-14-17(15,16)13-11(3)8-10(2)9-12(13)4/h8-9,14H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,2,3,4,13,11,12,14,10,9,5,7,8,6/E:(3,4)(8,9)(11,12)(15,16)/CRV:17.6/rA:17nCCCCNSOOCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;s12;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.49338
Area:441.148
Solvation:-1.53533
Coulombic:-13.8351
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:3.11
LogP (Chemaxon):3.54

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Descriptor Annotations

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