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Chemical ID: 6605374
Chemical ID:
6605374
Name [?]:
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)C)S(=O)(=O)Nc2cccc(c2)S(=O)(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2O4S2/c1-14-6-11-20(15(2)12-14)29(26,27)23-18-4-3-5-19(13-18)28(24,25)22-17-9-7-16(21)8-10-17/h3-13,22-23H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,15,14,16,3,25,27,24,28,4,7,18,2,6,26,23,13,17,5,29,22,12,20,21,10,11,19,9/E:(7,8)(9,10)(24,25)(26,27)/CRV:28.6,29.6/rA:29nCCCCCCCCSOONCCCCCCSOONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;d19;d19;s19;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O4S2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8784 |
Area: | 593.152 |
Solvation: | -2.95036 |
Coulombic: | -26.0482 |
Bond Count [?]
All: | 31 |
Single: | 18 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 450.961 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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