ChemDB: Chemical Search
Download
Chemical ID: 7255043
Chemical ID:
7255043
Name [?]:
N,N,2-trimethyl-5-(4-propylphenyl)sulfonylamino-benzenesulfonamide
SMILES [?]:
CCCc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)S(=O)(=O)N(C)C)C
InChi [?]:
InChI=1/C18H24N2O4S2/c1-5-6-15-8-11-17(12-9-15)25(21,22)19-16-10-7-14(2)18(13-16)26(23,24)20(3)4/h7-13,19H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,24,25,2,3,16,5,9,15,6,8,19,17,4,14,7,18,13,23,11,12,21,22,10,20/E:(3,4)(8,9)(11,12)(21,22)(23,24)/CRV:25.6,26.6/rA:26nCCCCCCCCCSOONCCCCCCSOONCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;d20;d20;s20;s23;s23;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O4S2 |
All Atoms: | 50 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6547 |
Area: | 546.27 |
Solvation: | -3.00206 |
Coulombic: | -20.3482 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.526 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.46 |
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 |
---|