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Chemical ID: 7325887
Chemical ID:
7325887
Name [?]:
N-[3-(dimethylsulfamoyl)phenyl]-2,3,4,5,6-pentamethyl-benzenesulfonamide
SMILES [?]:
Cc1c(c(c(c(c1C)C)S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N(C)C)C)C
InChi [?]:
InChI=1/C19H26N2O4S2/c1-12-13(2)15(4)19(16(5)14(12)3)26(22,23)20-17-9-8-10-18(11-17)27(24,25)21(6)7/h8-11,20H,1-7H3
InChi Info:
AuxInfo=1/0/N:1,8,27,9,26,24,25,16,15,17,19,2,7,3,6,4,14,18,5,13,23,11,12,21,22,10,20/E:(2,3)(4,5)(6,7)(13,14)(15,16)(22,23)(24,25)/CRV:26.6,27.6/rA:27nCCCCCCCCCSOONCCCCCCSOONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;d20;d20;s20;s23;s23;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O4S2 |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.322 |
Area: | 571.222 |
Solvation: | -2.95856 |
Coulombic: | -19.248 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 410.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.57 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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