Chemical ID: 4734097

CNS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-]
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

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Experimental Annotations

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Descriptor Annotations

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