Chemical ID: 5527216

Cc1cccc(c1)S(=O)(=O)NCCCOC
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

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Descriptor Annotations

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