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Chemical ID: 6850476
Chemical ID:
6850476
Name [?]:
4-(2,3-dimethylphenoxy)-N-(4-sulfamoylphenyl)-butanamide
SMILES [?]:
Cc1cccc(c1C)OCCCC(=O)Nc2ccc(cc2)S(=O)(=O)N
InChi [?]:
InChI=1/C18H22N2O4S/c1-13-5-3-6-17(14(13)2)24-12-4-7-18(21)20-15-8-10-16(11-9-15)25(19,22)23/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,20,21)(H2,19,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,4,11,3,5,12,17,21,18,20,10,2,7,16,19,6,13,25,15,14,23,24,9,22/E:(8,9)(10,11)(22,23)/CRV:25.6/rA:25nCCCCCCCCOCCCCONCCCCCCSOON/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O4S |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87755 |
Area: | 590.871 |
Solvation: | -4.89422 |
Coulombic: | -42.903 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 362.444 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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