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Chemical ID: 5058242
Chemical ID:
5058242
Name [?]:
4-amino-N-(4-hydroxycyclohexyl)-benzenesulfonamide
SMILES [?]:
c1cc(ccc1N)S(=O)(=O)NC2CCC(CC2)O
InChi [?]:
InChI=1/C12H18N2O3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-2,7-8,10-11,14-15H,3-6,13H2
InChi Info:
AuxInfo=1/0/N:1,5,13,17,14,16,2,4,6,12,15,3,7,11,18,9,10,8/E:(1,2)(3,4)(5,6)(7,8)(16,17)/CRV:18.6/rA:18nCCCCCCNSOONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s3;d8;d8;s8;s11;s12;s13;s14;s15;s12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68158 |
Area: | 435.521 |
Solvation: | -3.20644 |
Coulombic: | -45.1158 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.349 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.14 |
LogP (Chemaxon): | 0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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