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Chemical ID: 3997979
Chemical ID:
3997979
Name [?]:
N-ethyl-6-hydrazino-N-phenyl-pyridine-3-sulfonamide
SMILES [?]:
CCN(c1ccccc1)S(=O)(=O)c2ccc(nc2)NN
InChi [?]:
InChI=1/C13H16N4O2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(16-14)15-10-12/h3-10H,2,14H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,14,15,18,4,13,16,20,17,19,3,11,12,10/E:(4,5)(6,7)(18,19)/CRV:20.6/rA:20cCCNCCCCCCSOOCCCCNCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N4O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.28193 |
Area: | 458.979 |
Solvation: | -3.19255 |
Coulombic: | -30.507 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.358 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.93 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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