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Chemical ID: 4078629
Chemical ID:
4078629
Name [?]:
3-bromo-N-(2,2-dimethoxy-1-methyl-ethyl)-benzenesulfonamide
SMILES [?]:
CC(C(OC)OC)NS(=O)(=O)c1cccc(c1)Br
InChi [?]:
InChI=1/C11H16BrNO4S/c1-8(11(16-2)17-3)13-18(14,15)10-6-4-5-9(12)7-10/h4-8,11,13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,7,14,15,13,17,2,16,12,3,18,8,10,11,4,6,9/E:(2,3)(14,15)(16,17)/CRV:18.6/rA:18cCCCOCOCNSOOCCCCCCBr/rB:s1;s2;s3;s4;s3;s6;s2;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16BrNO4S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.37238 |
Area: | 459.447 |
Solvation: | -4.1138 |
Coulombic: | -29.2653 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.219 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.92 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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