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Chemical ID: 7317473
Chemical ID:
7317473
Name [?]:
3-bromo-N-(2-ethylphenyl)-benzenesulfonamide
SMILES [?]:
CCc1ccccc1NS(=O)(=O)c2cccc(c2)Br
InChi [?]:
InChI=1/C14H14BrNO2S/c1-2-11-6-3-4-9-14(11)16-19(17,18)13-8-5-7-12(15)10-13/h3-10,16H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,15,4,16,14,7,18,3,17,13,8,19,9,11,12,10/E:(17,18)/CRV:19.6/rA:19nCCCCCCCCNSOOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14BrNO2S |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53198 |
Area: | 446.363 |
Solvation: | -1.62711 |
Coulombic: | -14.4134 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 340.237 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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