Chemical ID: 6739050

Cc1cccc(c1)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue