Chemical ID: 6460746

COc1cc(ccc1N)S(=O)(=O)N2CCCCC2
Chemical ID:
6460746
Name [?]:
2-methoxy-4-(1-piperidylsulfonyl)aniline
SMILES [?]:
COc1cc(ccc1N)S(=O)(=O)N2CCCCC2
InChi [?]:
InChI=1/C12H18N2O3S/c1-17-12-9-10(5-6-11(12)13)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,6,7,14,18,4,5,8,3,9,13,11,12,2,10/E:(3,4)(7,8)(15,16)/CRV:18.6/rA:18nCOCCCCCCNSOONCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;d10;d10;s10;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.70328
Area:433.488
Solvation:-3.13391
Coulombic:-30.7329
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.349
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.57
LogP (Chemaxon):0.86

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