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Chemical ID: 6462582
Chemical ID:
6462582
Name [?]:
N-(4-iodophenyl)-2-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccccc1S(=O)(=O)Nc2ccc(cc2)I
InChi [?]:
InChI=1/C13H12INO2S/c1-10-4-2-3-5-13(10)18(16,17)15-12-8-6-11(14)7-9-12/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,14,16,13,17,2,15,12,7,18,11,9,10,8/E:(6,7)(8,9)(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCCCCI/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12INO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60183 |
Area: | 448.103 |
Solvation: | -1.60074 |
Coulombic: | -14.2485 |
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: | 4.01 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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