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Chemical ID: 4162866
Chemical ID:
4162866
Name [?]:
N-butyl-3-nitro-benzenesulfonamide
SMILES [?]:
CCCCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H14N2O4S/c1-2-3-7-11-17(15,16)10-6-4-5-9(8-10)12(13)14/h4-6,8,11H,2-3,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,12,10,4,14,13,9,5,15,16,17,7,8,6/E:(13,14)(15,16)/CRV:12.5,17.6/rA:17nCCCCNSOOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O4S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.54346 |
Area: | 448.319 |
Solvation: | -7.66451 |
Coulombic: | -22.7951 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 258.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.99 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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