Chemical ID: 6519889

c1cc(cc(c1)S(=O)(=O)NC2CCCCC2O)[N+](=O)[O-]
Chemical ID:
6519889
Name [?]:
N-(2-hydroxycyclohexyl)-3-nitro-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NC2CCCCC2O)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H16N2O5S/c15-12-7-2-1-6-11(12)13-20(18,19)10-5-3-4-9(8-10)14(16)17/h3-5,8,11-13,15H,1-2,6-7H2
InChi Info:
AuxInfo=1/0/N:13,14,1,2,6,12,15,4,3,5,11,16,10,18,17,19,20,8,9,7/E:(16,17)(18,19)/CRV:14.5,20.6/rA:20cCCCCCCSOONCCCCCCON+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s14;s11s15;s16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O5S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:2.2058
Area:456.837
Solvation:-9.21512
Coulombic:-38.6356
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.332
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.66
LogP (Chemaxon):1.7

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