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Chemical ID: 3991696
Chemical ID:
3991696
Name [?]:
5-amino-N-(4-chlorophenyl)-2-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)Cl)N
InChi [?]:
InChI=1/C13H13ClN2O2S/c1-9-2-5-11(15)8-13(9)19(17,18)16-12-6-3-10(14)4-7-12/h2-8,16H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,14,16,4,13,17,6,2,15,5,12,7,18,19,11,9,10,8/E:(3,4)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCCCCCCClN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13ClN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47328 |
Area: | 455.565 |
Solvation: | -1.91583 |
Coulombic: | -29.8294 |
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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