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Chemical ID: 5509581
Chemical ID:
5509581
Name [?]:
N-isopentyl-2-phenylsulfonyl-acetamide
SMILES [?]:
CC(C)CCNC(=O)CS(=O)(=O)c1ccccc1
InChi [?]:
InChI=1/C13H19NO3S/c1-11(2)8-9-14-13(15)10-18(16,17)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,17,14,18,4,5,9,2,13,7,6,8,11,12,10/E:(1,2)(4,5)(6,7)(16,17)/CRV:18.6/rA:18nCCCCCNCOCSOOCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57516 |
Area: | 476.838 |
Solvation: | -4.34579 |
Coulombic: | -23.845 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.361 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.31 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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