Chemical ID: 5509581

CC(C)CCNC(=O)CS(=O)(=O)c1ccccc1
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

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Descriptor Annotations

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