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Chemical ID: 4421198
Chemical ID:
4421198
Name [?]:
N-(3-ethylphenyl)-4-methoxy-benzenesulfonamide
SMILES [?]:
CCc1cccc(c1)NS(=O)(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C15H17NO3S/c1-3-12-5-4-6-13(11-12)16-20(17,18)15-9-7-14(19-2)8-10-15/h4-11,16H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,5,4,6,15,17,14,18,8,3,7,16,13,9,11,12,19,10/E:(7,8)(9,10)(17,18)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77738 |
Area: | 472.892 |
Solvation: | -3.04492 |
Coulombic: | -20.619 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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