Chemical ID: 6739029

Cc1ccc(cc1C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
Chemical ID:
6739029
Name [?]:
1-acetyl-N-(3,4-dimethylphenyl)-indoline-5-sulfonamide
SMILES [?]:
Cc1ccc(cc1C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
InChi [?]:
InChI=1/C18H20N2O3S/c1-12-4-5-16(10-13(12)2)19-24(22,23)17-6-7-18-15(11-17)8-9-20(18)14(3)21/h4-7,10-11,19H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,24,3,4,14,15,19,20,6,18,2,7,22,17,5,13,16,9,21,23,11,12,10/E:(22,23)/CRV:24.6/rA:24nCCCCCCCCNSOOCCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s19;s16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O3S
All Atoms:44
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0978
Area:528.677
Solvation:-3.11917
Coulombic:-26.6628
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:344.429
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.83
LogP (Chemaxon):2.62

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