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Chemical ID: 4788035
Chemical ID:
4788035
Name [?]:
N-methyl-4-nitro-benzenesulfonamide
SMILES [?]:
CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H8N2O4S/c1-8-14(12,13)7-4-2-6(3-5-7)9(10)11/h2-5,8H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,10,7,11,9,6,2,12,13,14,4,5,3/E:(2,3)(4,5)(10,11)(12,13)/CRV:9.5,14.6/rA:14nCNSOOCCCCCCN+OO-/rB:s1;s2;d3;d3;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N2O4S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.38136 |
Area: | 365.554 |
Solvation: | -7.75748 |
Coulombic: | -21.9562 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 216.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.64 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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