Chemical ID: 6653670

c1cc(sc1[N+](=O)[O-])S(=O)(=O)N
Chemical ID:
6653670
Name [?]:
5-nitrothiophene-2-sulfonamide
SMILES [?]:
c1cc(sc1[N+](=O)[O-])S(=O)(=O)N
InChi [?]:
InChI=1/C4H4N2O4S2/c5-12(9,10)4-2-1-3(11-4)6(7)8/h1-2H,(H2,5,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,12,6,7,8,10,11,4,9/E:(7,8)(9,10)/CRV:6.5,12.6/rA:12nCCCSCN+OO-SOON/rB:s1;d2;s3;d1s4;s5;d6;s6;s3;d9;d9;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H4N2O4S2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:0.110987
Area:347.262
Solvation:-8.57057
Coulombic:-25.9469
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.218
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:-0.69
LogP (Chemaxon):0.15

Name Annotations

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Descriptor Annotations

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