Chemical ID: 6471351

c1cc(cc(c1)S(=O)(=O)NCCN)[N+](=O)[O-]
Chemical ID:
6471351
Name [?]:
N-(2-aminoethyl)-3-nitro-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NCCN)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H11N3O4S/c9-4-5-10-16(14,15)8-3-1-2-7(6-8)11(12)13/h1-3,6,10H,4-5,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,4,3,5,13,10,14,15,16,8,9,7/E:(12,13)(14,15)/CRV:11.5,16.6/rA:16nCCCCCCSOONCCNN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N3O4S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:2.40775
Area:419.139
Solvation:-8.07072
Coulombic:-33.9079
Bond Count [?]
All:16
Single:10
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:245.257
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:-0.14
LogP (Chemaxon):-0.7

Name Annotations

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Descriptor Annotations

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