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Chemical ID: 7292754
Chemical ID:
7292754
Name [?]:
2,6-dichloro-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
c1cc(c(c(c1)Cl)S(=O)(=O)NCc2cccnc2)Cl
InChi [?]:
InChI=1/C12H10Cl2N2O2S/c13-10-4-1-5-11(14)12(10)19(17,18)16-8-9-3-2-6-15-7-9/h1-7,16H,8H2
InChi Info:
AuxInfo=1/0/N:1,15,14,2,6,16,18,12,13,3,5,4,19,7,17,11,9,10,8/E:(4,5)(10,11)(13,14)(17,18)/CRV:19.6/rA:19nCCCCCCClSOONCCCCCNCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;s13;d14;s15;d16;d13s17;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10Cl2N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56578 |
Area: | 462.809 |
Solvation: | -3.00444 |
Coulombic: | -17.0926 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 317.191 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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