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Chemical ID: 4268911
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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