Chemical ID: 6409049

Cc1nnc(s1)NC(=O)c2cccc(c2)S(=O)(=O)N3CCOCC3
Chemical ID:
6409049
Name [?]:
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholinosulfonyl-benzamide
SMILES [?]:
Cc1nnc(s1)NC(=O)c2cccc(c2)S(=O)(=O)N3CCOCC3
InChi [?]:
InChI=1/C14H16N4O4S2/c1-10-16-17-14(23-10)15-13(19)11-3-2-4-12(9-11)24(20,21)18-5-7-22-8-6-18/h2-4,9H,5-8H2,1H3,(H,15,17,19)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,20,24,21,23,15,2,10,14,8,5,7,3,4,19,9,17,18,22,6,16/E:(5,6)(7,8)(20,21)/CRV:24.6/rA:24nCCNNCSNCOCCCCCCSOONCCOCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;d16;s16;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N4O4S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.69126
Area:553.887
Solvation:-5.1559
Coulombic:-39.1964
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.433
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.19
LogP (Chemaxon):0.09

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