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Chemical ID: 4505635
Chemical ID:
4505635
Name [?]:
N-[4-(2-hydroxyethylsulfonyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)S(=O)(=O)CCO
InChi [?]:
InChI=1/C10H13NO4S/c1-8(13)11-9-2-4-10(5-3-9)16(14,15)7-6-12/h2-5,12H,6-7H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,6,10,7,9,15,14,2,5,8,4,16,3,12,13,11/E:(2,3)(4,5)(14,15)/CRV:16.6/rA:16nCCONCCCCCCSOOCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO4S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.41789 |
Area: | 420.526 |
Solvation: | -4.09526 |
Coulombic: | -38.3741 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.281 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.02 |
LogP (Chemaxon): | -0.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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