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Chemical ID: 7437995
Chemical ID:
7437995
Name [?]:
4-(3-nitrophenyl)sulfonylpiperazine-2,6-dione
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)N2CC(=O)NC(=O)C2)N(=O)=O
InChi [?]:
InChI=1/C10H9N3O6S/c14-9-5-12(6-10(15)11-9)20(18,19)8-3-1-2-7(4-8)13(16)17/h1-4H,5-6H2,(H,11,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,11,17,3,5,12,15,14,10,18,13,16,19,20,8,9,7/E:(5,6)(9,10)(14,15)(16,17)(18,19)/CRV:13.5,20.6/rA:20nCCCCCCSOONCCONCOCNOO/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s12;s14;d15;s10s15;s3;d18;d18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3O6S |
All Atoms: | 29 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.72273 |
Area: | 449.263 |
Solvation: | -9.50885 |
Coulombic: | -45.2385 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 299.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | -0.49 |
LogP (Chemaxon): | -0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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