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Chemical ID: 5414986
Chemical ID:
5414986
Name [?]:
N-(3-iodophenyl)-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)Nc2cccc(c2)I
InChi [?]:
InChI=1/C13H12INO2S/c1-10-4-2-7-13(8-10)18(16,17)15-12-6-3-5-11(14)9-12/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,14,3,15,13,5,7,17,2,16,12,6,18,11,9,10,8/E:(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCCCCI/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12INO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74117 |
Area: | 454.695 |
Solvation: | -1.6262 |
Coulombic: | -13.9956 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 373.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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