Chemical ID: 4720599

c1cc(ccc1S(=O)(=O)Cc2cc(ccc2[N+](=O)[O-])C(=O)N)Cl
Chemical ID:
4720599
Name [?]:
3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)Cc2cc(ccc2[N+](=O)[O-])C(=O)N)Cl
InChi [?]:
InChI=1/C14H11ClN2O5S/c15-11-2-4-12(5-3-11)23(21,22)8-10-7-9(14(16)18)1-6-13(10)17(19)20/h1-7H,8H2,(H2,16,18)
InChi Info:
AuxInfo=1/1/N:14,2,4,1,5,15,12,10,13,11,3,6,16,20,23,22,17,21,18,19,8,9,7/E:(2,3)(4,5)(19,20)(21,22)/CRV:17.5,23.6/rA:23nCCCCCCSOOCCCCCCCN+OO-CONCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s13;d20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClN2O5S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.10223
Area:521.438
Solvation:-8.93372
Coulombic:-39.9699
Bond Count [?]
All:24
Single:14
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.766
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.27
LogP (Chemaxon):1.84

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