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Chemical ID: 5822976
Chemical ID:
5822976
Name [?]:
N,N-diisopropyl-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(C(C)C)C(C)C
InChi [?]:
InChI=1/C13H21NO2S/c1-10(2)14(11(3)4)17(15,16)13-8-6-12(5)7-9-13/h6-11H,1-5H3
InChi Info:
AuxInfo=1/0/N:13,14,16,17,1,3,7,4,6,12,15,2,5,11,9,10,8/E:(1,2,3,4)(6,7)(8,9)(10,11)(15,16)/CRV:17.6/rA:17nCCCCCCCSOONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s12;s11;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93109 |
Area: | 418.569 |
Solvation: | -1.53314 |
Coulombic: | -9.12074 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.377 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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