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Chemical ID: 5622912
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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