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Chemical ID: 5313587

Chemical ID:

5313587

Name [?]:

N-(3,5-dimethylphenyl)-3-iodo-4-methoxy-benzenesulfonamide

SMILES [?]:

Cc1cc(cc(c1)NS(=O)(=O)c2ccc(c(c2)I)OC)C

InChi [?]:

InChI=1/C15H16INO3S/c1-10-6-11(2)8-12(7-10)17-21(18,19)13-4-5-15(20-3)14(16)9-13/h4-9,17H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,20,13,14,3,7,5,17,2,4,6,12,16,15,18,8,10,11,19,9/E:(1,2)(7,8)(10,11)(18,19)/CRV:21.6/rA:21nCCCCCCCNSOOCCCCCCIOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s15;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆INO₃S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.62335
Area:	508.021
Solvation:	-3.07718
Coulombic:	-19.6606

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	417.263
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.57
LogP (Chemaxon):	4.28

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value