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Chemical ID: 5527216
Chemical ID:
5527216
Name [?]:
N-(3-methoxypropyl)-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)NCCCOC
InChi [?]:
InChI=1/C11H17NO3S/c1-10-5-3-6-11(9-10)16(13,14)12-7-4-8-15-2/h3,5-6,9,12H,4,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,4,13,3,5,12,14,7,2,6,11,9,10,15,8/E:(13,14)/CRV:16.6/rA:16nCCCCCCCSOONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO3S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6011 |
Area: | 441.024 |
Solvation: | -3.4245 |
Coulombic: | -20.2988 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 243.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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