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Chemical ID: 5047456
Chemical ID:
5047456
Name [?]:
N,N-diethyl-4-pentyl-benzenesulfonamide
SMILES [?]:
CCCCCc1ccc(cc1)S(=O)(=O)N(CC)CC
InChi [?]:
InChI=1/C15H25NO2S/c1-4-7-8-9-14-10-12-15(13-11-14)19(17,18)16(5-2)6-3/h10-13H,4-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,19,2,16,18,3,4,5,7,11,8,10,6,9,15,13,14,12/E:(2,3)(5,6)(10,11)(12,13)(17,18)/CRV:19.6/rA:19nCCCCCCCCCCCSOONCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;d12;s12;s15;s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8399 |
Area: | 499.293 |
Solvation: | -1.64239 |
Coulombic: | -9.9266 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.431 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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