Chemical ID: 4162866

CCCCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Chemical ID:
4162866
Name [?]:
N-butyl-3-nitro-benzenesulfonamide
SMILES [?]:
CCCCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H14N2O4S/c1-2-3-7-11-17(15,16)10-6-4-5-9(8-10)12(13)14/h4-6,8,11H,2-3,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,12,10,4,14,13,9,5,15,16,17,7,8,6/E:(13,14)(15,16)/CRV:12.5,17.6/rA:17nCCCCNSOOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:3.54346
Area:448.319
Solvation:-7.66451
Coulombic:-22.7951
Bond Count [?]
All:17
Single:11
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:258.295
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.99
LogP (Chemaxon):2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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