Chemical ID: 6684634

Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2OCCCl
Chemical ID:
6684634
Name [?]:
3-[2-(2-chloroethoxy)phenyl]sulfonyl-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-urea
SMILES [?]:
Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2OCCCl
InChi [?]:
InChI=1/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,9,20,19,21,18,25,24,2,22,17,4,11,6,26,3,7,10,5,13,12,15,16,8,23,14/E:(22,23)/CRV:26.6/rA:26nCCNCNCNOCNCONSOOCCCCCCOCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s4;s10;d11;s11;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16ClN5O5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.80053
Area:535.952
Solvation:-6.59827
Coulombic:-66.1962
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:401.826
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.85
LogP (Chemaxon):2.83

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Descriptor Annotations

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