Chemical ID: 4263547

CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
Chemical ID:
4263547
Name [?]:
2-nitro-N-propyl-benzenesulfonamide
SMILES [?]:
CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C9H12N2O4S/c1-2-7-10-16(14,15)9-6-4-3-5-8(9)11(12)13/h3-6,10H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,3,13,8,4,14,15,16,6,7,5/E:(12,13)(14,15)/CRV:11.5,16.6/rA:16nCCCNSOOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;d5;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O4S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:2.53106
Area:396.688
Solvation:-7.38615
Coulombic:-21.7702
Bond Count [?]
All:16
Single:10
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:244.269
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.42
LogP (Chemaxon):1.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue