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Chemical ID: 4256598
Chemical ID:
4256598
Name [?]:
4-methyl-3-nitro-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N
InChi [?]:
InChI=1/C7H8N2O4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3,(H2,8,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,2,5,7,14,8,9,10,12,13,11/E:(10,11)(12,13)/CRV:9.5,14.6/rA:14nCCCCCCCN+OO-SOON/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;d11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N2O4S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.40837 |
Area: | 363.01 |
Solvation: | -7.66689 |
Coulombic: | -26.1018 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 216.215 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.48 |
LogP (Chemaxon): | 1.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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