ChemDB: Chemical Search
Download
Chemical ID: 7130539
Chemical ID:
7130539
Name [?]:
(4-sulfamoylphenyl)-(2,4,6-triisopropylphenyl)sulfonyl-azanide
SMILES [?]:
CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)[N-]c2ccc(cc2)S(=O)(=O)N)C(C)C
InChi [?]:
InChI=1/C21H29N2O4S2/c1-13(2)16-11-19(14(3)4)21(20(12-16)15(5)6)29(26,27)23-17-7-9-18(10-8-17)28(22,24)25/h7-15H,1-6H3,(H2,22,24,25)/q-1
InChi Info:
AuxInfo=1/1/N:1,3,11,12,28,29,18,22,19,21,9,5,2,10,27,4,17,20,8,6,7,26,16,24,25,14,15,23,13/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(14,15)(19,20)(24,25)(26,27)/CRV:23-1,28.6,29.6/rA:29nCCCCCCCCCCCCSOON-CCCCCCSOONCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s10;s7;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;s20;d23;d23;s23;s6;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H29N2O4S2- |
All Atoms: | 58 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -17.4323 |
Area: | 639.489 |
Solvation: | -33.4195 |
Coulombic: | 6.09798 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 437.598 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.82 |
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 |
---|