Chemical ID: 5172596

CCCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Chemical ID:
5172596
Name [?]:
4-chloro-3-nitro-N-propyl-benzenesulfonamide
SMILES [?]:
CCCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C9H11ClN2O4S/c1-2-5-11-17(15,16)7-3-4-8(10)9(6-7)12(13)14/h3-4,6,11H,2,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,3,13,8,11,12,17,4,14,15,16,6,7,5/E:(13,14)(15,16)/CRV:12.5,17.6/rA:17nCCCNSOOCCCCCCN+OO-Cl/rB:s1;s2;s3;s4;d5;d5;s5;s8;d9;s10;d11;d8s12;s12;d14;s14;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11ClN2O4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:3.03656
Area:443.096
Solvation:-8.04084
Coulombic:-21.0582
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:278.713
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.04
LogP (Chemaxon):2.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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