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Chemical ID: 6322442
Chemical ID:
6322442
Name [?]:
N-isobutyl-2-nitro-benzenesulfonamide
SMILES [?]:
CC(C)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C10H14N2O4S/c1-8(2)7-11-17(15,16)10-6-4-3-5-9(10)12(13)14/h3-6,8,11H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,13,10,4,2,14,9,5,15,16,17,7,8,6/E:(1,2)(13,14)(15,16)/CRV:12.5,17.6/rA:17nCCCCNSOOCCCCCCN+OO-/rB:s1;s2;s2;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O4S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.99077 |
Area: | 412.056 |
Solvation: | -7.31063 |
Coulombic: | -22.1014 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 258.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.72 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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