Chemical ID: 4982535

CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
Chemical ID:
4982535
Name [?]:
4-methyl-N-(5-propyl-1,3,4-oxadiazol-2-yl)-benzenesulfonamide
SMILES [?]:
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C12H15N3O3S/c1-3-4-11-13-14-12(18-11)15-19(16,17)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,19,2,3,15,17,14,18,16,13,4,7,5,6,9,11,12,8,10/E:(5,6)(7,8)(16,17)/CRV:19.6/rA:19nCCCCNNCONSOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N3O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.63995
Area:464.725
Solvation:-1.97817
Coulombic:-27.6806
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.332
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):1.56

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