Chemical ID: 4262671

CCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
Chemical ID:
4262671
Name [?]:
2-nitro-N-pentyl-benzenesulfonamide
SMILES [?]:
CCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C11H16N2O4S/c1-2-3-6-9-12-18(16,17)11-8-5-4-7-10(11)13(14)15/h4-5,7-8,12H,2-3,6,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,13,12,4,14,11,5,15,10,6,16,17,18,8,9,7/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;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2O4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.89577
Area:450.663
Solvation:-7.3708
Coulombic:-22.3933
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

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Descriptor Annotations

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