Chemical ID: 3993877

CCN(CC)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])O
Chemical ID:
3993877
Name [?]:
N,N-diethyl-4-hydroxy-3-nitro-benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])O
InChi [?]:
InChI=1/C10H14N2O5S/c1-3-11(4-2)18(16,17)8-5-6-10(13)9(7-8)12(14)15/h5-7,13H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,11,14,9,13,12,3,15,18,16,17,7,8,6/E:(1,2)(3,4)(14,15)(16,17)/CRV:12.5,18.6/rA:18nCCNCCSOOCCCCCCN+OO-O/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O5S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:1.53807
Area:430.87
Solvation:-9.23367
Coulombic:-31.7282
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.295
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.96
LogP (Chemaxon):1.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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