Chemical ID: 4268911

c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N
Chemical ID:
4268911
Name [?]:
4-nitrobenzenesulfonamide
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N
InChi [?]:
InChI=1/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,13,7,8,9,11,12,10/E:(1,2)(3,4)(9,10)(11,12)/CRV:8.5,13.6/rA:13nCCCCCCN+OO-SOON/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;d10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N2O4S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:0.855692
Area:348.676
Solvation:-7.8612
Coulombic:-26.0398
Bond Count [?]
All:13
Single:7
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:202.189
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.25
LogP (Chemaxon):0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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