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Chemical ID: 6355505
Chemical ID:
6355505
Name [?]:
2,5-dichloro-N-(4-methyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
Cc1ccnc(c1)NS(=O)(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C12H10Cl2N2O2S/c1-8-4-5-15-12(6-8)16-19(17,18)11-7-9(13)2-3-10(11)14/h2-7H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,15,16,3,4,7,13,2,14,17,12,6,19,18,5,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCNCCNSOOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10Cl2N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96702 |
Area: | 461.702 |
Solvation: | -2.57553 |
Coulombic: | -17.128 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 317.191 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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