ChemDB: Chemical Search
Download
Chemical ID: 5600897
Chemical ID:
5600897
Name [?]:
N-[3-(dimethylsulfamoyl)phenyl]-2,5-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N(C)C)C
InChi [?]:
InChI=1/C16H20N2O4S2/c1-12-8-9-13(2)16(10-12)23(19,20)17-14-6-5-7-15(11-14)24(21,22)18(3)4/h5-11,17H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,22,23,14,13,15,3,4,7,17,2,5,12,16,6,11,21,9,10,19,20,8,18/E:(3,4)(19,20)(21,22)/CRV:23.6,24.6/rA:24nCCCCCCCSOONCCCCCCSOONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O4S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2179 |
Area: | 528.01 |
Solvation: | -2.98237 |
Coulombic: | -19.764 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.473 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.47 |
LogP (Chemaxon): | 2.67 |
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 |
---|