ChemDB: Chemical Search
Download
Chemical ID: 4077691
Chemical ID:
4077691
Name [?]:
4-acetyl-N-isopropyl-N-phenyl-benzenesulfonamide
SMILES [?]:
CC(C)N(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)C
InChi [?]:
InChI=1/C17H19NO3S/c1-13(2)18(16-7-5-4-6-8-16)22(20,21)17-11-9-15(10-12-17)14(3)19/h4-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,22,8,7,9,6,10,16,18,15,19,2,20,17,5,14,4,21,12,13,11/E:(1,2)(5,6)(7,8)(9,10)(11,12)(20,21)/CRV:22.6/rA:22cCCCNCCCCCCSOOCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s4;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.30183 |
Area: | 497.012 |
Solvation: | -3.12348 |
Coulombic: | -16.5606 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.404 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.0 |
LogP (Chemaxon): | 2.92 |
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 |
---|