Chemical ID: 4246540

c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)NC2CC3CCC2C3
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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Descriptor Annotations

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