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Chemical ID: 4680444
Chemical ID:
4680444
Name [?]:
N-(4-amino-2,5-dimethyl-phenyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(cc2C)N)C
InChi [?]:
InChI=1/C15H18N2O2S/c1-10-4-6-13(7-5-10)20(18,19)17-15-9-11(2)14(16)8-12(15)3/h4-9,17H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,3,7,4,6,16,13,2,14,17,5,15,12,19,11,9,10,8/E:(4,5)(6,7)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69613 |
Area: | 464.002 |
Solvation: | -1.90391 |
Coulombic: | -29.5504 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 290.382 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.36 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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