Chemical ID: 5414986

Cc1cccc(c1)S(=O)(=O)Nc2cccc(c2)I
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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