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Chemical ID: 4743852
Chemical ID:
4743852
Name [?]:
N-butyl-N-isopropyl-4-methyl-benzenesulfonamide
SMILES [?]:
CCCCN(C(C)C)S(=O)(=O)c1ccc(cc1)C
InChi [?]:
InChI=1/C14H23NO2S/c1-5-6-11-15(12(2)3)18(16,17)14-9-7-13(4)8-10-14/h7-10,12H,5-6,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,8,18,2,3,14,16,13,17,4,6,15,12,5,10,11,9/E:(2,3)(7,8)(9,10)(16,17)/CRV:18.6/rA:18cCCCCNCCCSOOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s6;s5;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0282 |
Area: | 465.142 |
Solvation: | -1.60032 |
Coulombic: | -9.62743 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.404 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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