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Chemical ID: 6497207
Chemical ID:
6497207
Name [?]:
4-[2-[(7,7-dimethyl-2-oxo-norbornan-1-yl)methylsulfonylamino]ethyl]benzenesulfonamide
SMILES [?]:
CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NCCc3ccc(cc3)S(=O)(=O)N)C
InChi [?]:
InChI=1/C18H26N2O5S2/c1-17(2)14-7-9-18(17,16(21)11-14)12-26(22,23)20-10-8-13-3-5-15(6-4-13)27(19,24)25/h3-6,14,20H,7-12H2,1-2H3,(H2,19,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,18,22,19,21,4,16,5,15,9,10,17,3,20,7,2,6,26,14,8,12,13,24,25,11,23/E:(1,2)(3,4)(5,6)(22,23)(24,25)/CRV:26.6,27.6/rA:27cCCCCCCCOCCSOONCCCCCCCCSOONC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;s6;s10;d11;d11;s11;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;d23;d23;s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N2O5S2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.02804 |
Area: | 601.136 |
Solvation: | -6.00036 |
Coulombic: | -32.0039 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 414.542 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.17 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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