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Chemical ID: 7500295
Chemical ID:
7500295
Name [?]:
N-[4-(diethylsulfamoyl)phenyl]hexanamide
SMILES [?]:
CCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC)CC
InChi [?]:
InChI=1/C16H26N2O3S/c1-4-7-8-9-16(19)17-14-10-12-15(13-11-14)22(20,21)18(5-2)6-3/h10-13H,4-9H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,22,2,19,21,3,4,5,10,14,11,13,9,12,6,8,18,7,16,17,15/E:(2,3)(5,6)(10,11)(12,13)(20,21)/CRV:22.6/rA:22nCCCCCCONCCCCCCSOONCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;d15;s15;s18;s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O3S |
All Atoms: | 48 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.939 |
Area: | 552.563 |
Solvation: | -2.87508 |
Coulombic: | -27.9163 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 326.455 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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