Chemical ID: 4256598

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