Chemical ID: 5622912

COC(=O)NS(=O)(=O)c1ccc(cc1)Cl
Chemical ID:
5622912
Name [?]:
methyl (4-chlorophenyl)sulfonylaminoformate
SMILES [?]:
COC(=O)NS(=O)(=O)c1ccc(cc1)Cl
InChi [?]:
InChI=1/C8H8ClNO4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,11,13,10,14,12,9,3,15,5,4,7,8,2,6/E:(2,3)(4,5)(12,13)/CRV:15.6/rA:15nCOCONSOOCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8ClNO4S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.52327
Area:399.263
Solvation:-2.4583
Coulombic:-33.8857
Bond Count [?]
All:15
Single:9
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.672
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.55
LogP (Chemaxon):1.82

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Descriptor Annotations

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