Chemical ID: 6178476

c1cc(c(cc1S(=O)(=O)NCC2CCCO2)[N+](=O)[O-])Cl
Chemical ID:
6178476
Name [?]:
4-chloro-3-nitro-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
SMILES [?]:
c1cc(c(cc1S(=O)(=O)NCC2CCCO2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C11H13ClN2O5S/c12-10-4-3-9(6-11(10)14(15)16)20(17,18)13-7-8-2-1-5-19-8/h3-4,6,8,13H,1-2,5,7H2
InChi Info:
AuxInfo=1/0/N:14,13,1,2,15,5,11,12,6,3,4,20,10,17,18,19,8,9,16,7/E:(15,16)(17,18)/CRV:14.5,20.6/rA:20cCCCCCCSOONCCCCCON+OO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s14;s12s15;s4;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13ClN2O5S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:3.02609
Area:490.442
Solvation:-9.23495
Coulombic:-28.5561
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.75
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.62
LogP (Chemaxon):1.63

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