Chemical ID: 7289350

CCN(CC)S(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc2cc(ccc2OC)Cl
Chemical ID:
7289350
Name [?]:
N'-(5-chloro-2-methoxy-phenyl)-N,N-diethyl-benzene-1,4-disulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc2cc(ccc2OC)Cl
InChi [?]:
InChI=1/C17H21ClN2O5S2/c1-4-20(5-2)27(23,24)15-9-7-14(8-10-15)26(21,22)19-16-12-13(18)6-11-17(16)25-3/h6-12,19H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,26,2,4,22,11,13,10,14,23,20,21,12,9,19,24,27,18,3,16,17,7,8,25,15,6/E:(1,2)(4,5)(7,8)(9,10)(21,22)(23,24)/CRV:26.6,27.6/rA:27nCCNCCSOOCCCCCCSOONCCCCCCOCCl/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;d15;s15;s18;s19;d20;s21;d22;d19s23;s24;s25;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21ClN2O5S2
All Atoms:48
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8959
Area:603.017
Solvation:-4.17953
Coulombic:-27.1215
Bond Count [?]
All:28
Single:18
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:432.944
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.19
LogP (Chemaxon):2.68

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Descriptor Annotations

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