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Chemical ID: 6659014
Chemical ID:
6659014
Name [?]:
2-[4-(4-aminophenyl)sulfonylphenyl]aminoethanol
SMILES [?]:
c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)NCCO
InChi [?]:
InChI=1/C14H16N2O3S/c15-11-1-5-13(6-2-11)20(18,19)14-7-3-12(4-8-14)16-9-10-17/h1-8,16-17H,9-10,15H2
InChi Info:
AuxInfo=1/0/N:1,5,13,15,2,4,12,16,18,19,6,14,3,11,7,17,20,9,10,8/E:(1,2)(3,4)(5,6)(7,8)(18,19)/CRV:20.6/rA:20nCCCCCCNSOOCCCCCCNCCO/rB:s1;d2;s3;d4;d1s5;s6;s3;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41679 |
Area: | 487.677 |
Solvation: | -3.77512 |
Coulombic: | -49.2747 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.355 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.19 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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