Chemical ID: 4462576

Cc1ccc(cc1)S(=O)(=O)NCCOc2cc(ccc2C)C
Chemical ID:
4462576
Name [?]:
N-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCCOc2cc(ccc2C)C
InChi [?]:
InChI=1/C17H21NO3S/c1-13-5-8-16(9-6-13)22(19,20)18-10-11-21-17-12-14(2)4-7-15(17)3/h4-9,12,18H,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,18,3,7,19,4,6,12,13,16,2,17,20,5,15,11,9,10,14,8/E:(5,6)(8,9)(19,20)/CRV:22.6/rA:22nCCCCCCCSOONCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4196
Area:537.817
Solvation:-3.02582
Coulombic:-21.4459
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.42
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.7
LogP (Chemaxon):3.94

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Descriptor Annotations

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