Chemical ID: 6322442

CC(C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]
Chemical ID:
6322442
Name [?]:
N-isobutyl-2-nitro-benzenesulfonamide
SMILES [?]:
CC(C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C10H14N2O4S/c1-8(2)7-11-17(15,16)10-6-4-3-5-9(10)12(13)14/h3-6,8,11H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,13,10,4,2,14,9,5,15,16,17,7,8,6/E:(1,2)(13,14)(15,16)/CRV:12.5,17.6/rA:17nCCCCNSOOCCCCCCN+OO-/rB:s1;s2;s2;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:2.99077
Area:412.056
Solvation:-7.31063
Coulombic:-22.1014
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:258.295
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.72
LogP (Chemaxon):2.09

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