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Chemical ID: 4246540
Chemical ID:
4246540
Name [?]:
2-nitro-N-norbornan-2-yl-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)NC2CC3CCC2C3
InChi [?]:
InChI=1/C13H16N2O4S/c16-15(17)12-3-1-2-4-13(12)20(18,19)14-11-8-9-5-6-10(11)7-9/h1-4,9-11,14H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,18,20,15,16,19,14,5,4,13,7,8,9,11,12,10/E:(16,17)(18,19)/CRV:15.5,20.6/rA:20cCCCCCCN+OO-SOONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;d10;s10;s13;s14;s15;s16;s17;s14s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2O4S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 3.70913 |
Area: | 435.359 |
Solvation: | -7.17484 |
Coulombic: | -22.7867 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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