Chemical ID: 7289359

CCOC(=O)c1cc(cc(c1)NS(=O)(=O)c2c(cccc2F)F)C(=O)OCC
Chemical ID:
7289359
Name [?]:
diethyl 5-(2,6-difluorophenyl)sulfonylaminobenzene-1,3-dicarboxylate
SMILES [?]:
CCOC(=O)c1cc(cc(c1)NS(=O)(=O)c2c(cccc2F)F)C(=O)OCC
InChi [?]:
InChI=1/C18H17F2NO6S/c1-3-26-17(22)11-8-12(18(23)27-4-2)10-13(9-11)21-28(24,25)16-14(19)6-5-7-15(16)20/h5-10,21H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,19,18,20,7,11,9,6,8,10,17,21,16,4,24,23,22,12,5,25,14,15,3,26,13/E:(1,2)(3,4)(6,7)(9,10)(11,12)(14,15)(17,18)(19,20)(22,23)(24,25)(26,27)/CRV:28.6/rA:28nCCOCOCCCCCCNSOOCCCCCCFFCOOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;d13;s13;s16;d17;s18;d19;d16s20;s21;s17;s8;d24;s24;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17F2NO6S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.22253
Area:600.742
Solvation:-5.79603
Coulombic:-56.4204
Bond Count [?]
All:29
Single:19
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:413.394
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.76
LogP (Chemaxon):2.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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