ChemDB: Chemical Search
Download
Chemical ID: 3967757
Chemical ID:
3967757
Name [?]:
N-[5-amino-1-(2-chloroacetyl)-pentyl]-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(=O)CCl
InChi [?]:
InChI=1/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,3,7,4,6,16,20,2,5,12,18,21,17,11,19,9,10,8/E:(5,6)(7,8)(19,20)/CRV:21.6/rA:21cCCCCCCCSOONCCCCCNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s15;s16;s12;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21ClN2O3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.5204 |
Area: | 535.138 |
Solvation: | -4.85805 |
Coulombic: | -30.9879 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 332.847 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.59 |
LogP (Chemaxon): | 1.7 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|