Chemical ID: 3991423

CCN(CC)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Chemical ID:
3991423
Name [?]:
4-chloro-N,N-diethyl-3-nitro-benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C10H13ClN2O4S/c1-3-12(4-2)18(16,17)8-5-6-9(11)10(7-8)13(14)15/h5-7H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,11,14,9,12,13,18,3,15,16,17,7,8,6/E:(1,2)(3,4)(14,15)(16,17)/CRV:13.5,18.6/rA:18nCCNCCSOOCCCCCCN+OO-Cl/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13ClN2O4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.20483
Area:443.542
Solvation:-7.88372
Coulombic:-16.3643
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.74
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.35
LogP (Chemaxon):2.33

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Descriptor Annotations

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