Chemical ID: 4250510

Cc1cc(ccc1S(=O)(=O)Nc2ccc(cc2)I)F
Chemical ID:
4250510
Name [?]:
4-fluoro-N-(4-iodophenyl)-2-methyl-benzenesulfonamide
SMILES [?]:
Cc1cc(ccc1S(=O)(=O)Nc2ccc(cc2)I)F
InChi [?]:
InChI=1/C13H11FINO2S/c1-9-8-10(14)2-7-13(9)19(17,18)16-12-5-3-11(15)4-6-12/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,14,16,13,17,6,3,2,4,15,12,7,19,18,11,9,10,8/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCCCIF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11FINO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.83304
Area:455.091
Solvation:-2.54424
Coulombic:-16.6251
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:391.201
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.17
LogP (Chemaxon):4.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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