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Chemical ID: 4073022
Chemical ID:
4073022
Name [?]:
N-(2-ethoxyethyl)-2,6-difluoro-benzenesulfonamide
SMILES [?]:
CCOCCNS(=O)(=O)c1c(cccc1F)F
InChi [?]:
InChI=1/C10H13F2NO3S/c1-2-16-7-6-13-17(14,15)10-8(11)4-3-5-9(10)12/h3-5,13H,2,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,5,4,11,15,10,17,16,6,8,9,3,7/E:(4,5)(8,9)(11,12)(14,15)/CRV:17.6/rA:17nCCOCCNSOOCCCCCCFF/rB:s1;s2;s3;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13F2NO3S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.25264 |
Area: | 420.081 |
Solvation: | -5.24938 |
Coulombic: | -25.5494 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 265.278 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.43 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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