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Chemical ID: 3991698
Chemical ID:
3991698
Name [?]:
3-amino-N-(3-chlorophenyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1N)S(=O)(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C13H13ClN2O2S/c1-9-5-6-12(8-13(9)15)19(17,18)16-11-4-2-3-10(14)7-11/h2-8,16H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,3,4,18,6,2,17,13,5,7,19,8,12,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCNSOONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13ClN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53386 |
Area: | 459.026 |
Solvation: | -1.9418 |
Coulombic: | -29.6441 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.773 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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