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Chemical ID: 4671009
Chemical ID:
4671009
Name [?]:
N-[2-(4-aminophenyl)ethyl]benzenesulfonamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)NCCc2ccc(cc2)N
InChi [?]:
InChI=1/C14H16N2O2S/c15-13-8-6-12(7-9-13)10-11-16-19(17,18)14-4-2-1-3-5-14/h1-9,16H,10-11,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,18,15,17,12,11,13,16,4,19,10,8,9,7/E:(2,3)(4,5)(6,7)(8,9)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60091 |
Area: | 476.612 |
Solvation: | -2.31438 |
Coulombic: | -30.5147 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.355 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.92 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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