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Chemical ID: 5178781
Chemical ID:
5178781
Name [?]:
3-amino-4-(1-piperidyl)benzenesulfonamide
SMILES [?]:
c1cc(c(cc1S(=O)(=O)N)N)N2CCCCC2
InChi [?]:
InChI=1/C11H17N3O2S/c12-10-8-9(17(13,15)16)4-5-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,12H2,(H2,13,15,16)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,2,13,17,5,6,4,3,11,10,12,8,9,7/E:(2,3)(6,7)(15,16)/CRV:17.6/rA:17nCCCCCCSOONNNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s4;s3;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.89861 |
Area: | 420.622 |
Solvation: | -2.61693 |
Coulombic: | -38.3107 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 255.338 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.74 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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