Chemical ID: 4500009

CCCCCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Chemical ID:
4500009
Name [?]:
3-nitro-N-pentyl-benzenesulfonamide
SMILES [?]:
CCCCCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H16N2O4S/c1-2-3-4-8-12-18(16,17)11-7-5-6-10(9-11)13(14)15/h5-7,9,12H,2-4,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,12,13,11,5,15,14,10,6,16,17,18,8,9,7/E:(14,15)(16,17)/CRV:13.5,18.6/rA:18nCCCCCNSOOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2O4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:4.20432
Area:474.096
Solvation:-7.64807
Coulombic:-23.0956
Bond Count [?]
All:18
Single:12
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:272.322
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.56
LogP (Chemaxon):2.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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