ChemDB: Chemical Search
Download
Chemical ID: 6706467
Chemical ID:
6706467
Name [?]:
1-acetyl-N-phenyl-indoline-5-sulfonamide
SMILES [?]:
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)Nc3ccccc3
InChi [?]:
InChI=1/C16H16N2O3S/c1-12(19)18-10-9-13-11-15(7-8-16(13)18)22(20,21)17-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,10,9,6,5,12,2,7,17,11,8,16,4,3,14,15,13/E:(3,4)(5,6)(20,21)/CRV:22.6/rA:22nCCONCCCCCCCCSOONCCCCCC/rB:s1;d2;s2;s4;s5;s6;s4s7;d8;s9;d10;d7s11;s11;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9453 |
Area: | 483.497 |
Solvation: | -3.14213 |
Coulombic: | -27.0513 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.96 |
LogP (Chemaxon): | 1.69 |
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 |
---|