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Chemical ID: 5157437
Chemical ID:
5157437
Name [?]:
2-(4-aminophenyl)sulfonyl-5-ethylamino-phenol
SMILES [?]:
CCNc1ccc(c(c1)O)S(=O)(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C14H16N2O3S/c1-2-16-11-5-8-14(13(17)9-11)20(18,19)12-6-3-10(15)4-7-12/h3-9,16-17H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,18,5,15,19,6,9,17,4,14,8,7,20,3,10,12,13,11/E:(3,4)(6,7)(18,19)/CRV:20.6/rA:20nCCNCCCCCCOSOOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s7;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56187 |
Area: | 471.21 |
Solvation: | -3.21837 |
Coulombic: | -48.4936 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.355 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 1.64 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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