Chemical ID: 4370907

c1ccc(cc1)CN(Cc2ccccc2)S(=O)(=O)c3ccc(c(c3)[N+](=O)[O-])Cl
Chemical ID:
4370907
Name [?]:
N,N-dibenzyl-4-chloro-3-nitro-benzenesulfonamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)S(=O)(=O)c3ccc(c(c3)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C20H17ClN2O4S/c21-19-12-11-18(13-20(19)23(24)25)28(26,27)22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,3,5,11,15,20,21,24,7,9,4,10,19,22,23,28,8,25,26,27,17,18,16/E:(1,2)(3,4,5,6)(7,8,9,10)(14,15)(16,17)(24,25)(26,27)/CRV:23.5,28.6/rA:28nCCCCCCCNCCCCCCCSOOCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;d16;s16;s19;d20;s21;d22;d19s23;s23;d25;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClN2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.95435
Area:577.795
Solvation:-8.49053
Coulombic:-20.0224
Bond Count [?]
All:30
Single:18
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.879
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.92
LogP (Chemaxon):5.2

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Descriptor Annotations

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