Chemical ID: 4788035

CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
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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