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Chemical ID: 6462987
Chemical ID:
6462987
Name [?]:
2-methyl-N-octyl-benzenesulfonamide
SMILES [?]:
CCCCCCCCNS(=O)(=O)c1ccccc1C
InChi [?]:
InChI=1/C15H25NO2S/c1-3-4-5-6-7-10-13-16-19(17,18)15-12-9-8-11-14(15)2/h8-9,11-12,16H,3-7,10,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,3,4,5,6,16,15,7,17,14,8,18,13,9,11,12,10/E:(17,18)/CRV:19.6/rA:19nCCCCCCCCNSOOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2501 |
Area: | 515.59 |
Solvation: | -1.63965 |
Coulombic: | -15.2631 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.431 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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