ChemDB: Chemical Search
Download
Chemical ID: 6739050
Chemical ID:
6739050
Name [?]:
1-acetyl-N-(m-tolyl)indoline-5-sulfonamide
SMILES [?]:
Cc1cccc(c1)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
InChi [?]:
InChI=1/C17H18N2O3S/c1-12-4-3-5-15(10-12)18-23(21,22)16-6-7-17-14(11-16)8-9-19(17)13(2)20/h3-7,10-11,18H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,4,3,5,13,14,18,19,7,17,2,21,16,6,12,15,8,20,22,10,11,9/E:(21,22)/CRV:23.6/rA:23nCCCCCCCNSOOCCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3S |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60755 |
Area: | 508.417 |
Solvation: | -3.10287 |
Coulombic: | -26.9205 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.15 |
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 |
---|