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Chemical ID: 6637273
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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