ChemDB: Chemical Search
Download
Chemical ID: 7252501
Chemical ID:
7252501
Name [?]:
3-methyl-N-[2-(m-tolylsulfonylamino)ethyl]benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)NCCNS(=O)(=O)c2cccc(c2)C
InChi [?]:
InChI=1/C16H20N2O4S2/c1-13-5-3-7-15(11-13)23(19,20)17-9-10-18-24(21,22)16-8-4-6-14(2)12-16/h3-8,11-12,17-18H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,4,20,3,21,5,19,12,13,7,23,2,22,6,18,11,14,9,10,16,17,8,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/CRV:23.6,24.6/rA:24nCCCCCCCSOONCCNSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O4S2 |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0885 |
Area: | 579.258 |
Solvation: | -3.39299 |
Coulombic: | -25.3376 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.41 |
LogP (Chemaxon): | 2.61 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|