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Chemical ID: 5433940
Chemical ID:
5433940
Name [?]:
4-[(7,7-dimethyl-2-oxo-norbornan-1-yl)methylsulfonylaminomethyl]benzenesulfonamide
SMILES [?]:
CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NCc3ccc(cc3)S(=O)(=O)N)C
InChi [?]:
InChI=1/C17H24N2O5S2/c1-16(2)13-7-8-17(16,15(20)9-13)11-25(21,22)19-10-12-3-5-14(6-4-12)26(18,23)24/h3-6,13,19H,7-11H2,1-2H3,(H2,18,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,17,21,18,20,4,5,9,15,10,16,3,19,7,2,6,25,14,8,12,13,23,24,11,22/E:(1,2)(3,4)(5,6)(21,22)(23,24)/CRV:25.6,26.6/rA:26cCCCCCCCOCCSOONCCCCCCCSOONC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;s6;s10;d11;d11;s11;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;d22;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O5S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.42597 |
Area: | 572.724 |
Solvation: | -5.89214 |
Coulombic: | -31.9975 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 400.515 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.02 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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