ChemDB: Chemical Search
Download
Chemical ID: 4734097
Chemical ID:
4734097
Name [?]:
N-methyl-1-(4-nitrophenyl)-methanesulfonamide
SMILES [?]:
CNS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H10N2O4S/c1-9-15(13,14)6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,12,9,11,6,7,10,2,13,14,15,4,5,3/E:(2,3)(4,5)(11,12)(13,14)/CRV:10.5,15.6/rA:15nCNSOOCCCCCCCN+OO-/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N2O4S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.45402 |
Area: | 391.095 |
Solvation: | -8.32335 |
Coulombic: | -21.5434 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 230.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.63 |
LogP (Chemaxon): | 0.73 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|