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Chemical ID: 4108749
Chemical ID:
4108749
Name [?]:
4-chloro-N-[(4-chlorophenyl)methyl]-N-(morpholinocarbonylmethyl)benzenesulfonamide
SMILES [?]:
c1cc(ccc1CN(CC(=O)N2CCOCC2)S(=O)(=O)c3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C19H20Cl2N2O4S/c20-16-3-1-15(2-4-16)13-23(14-19(24)22-9-11-27-12-10-22)28(25,26)18-7-5-17(21)6-8-18/h1-8H,9-14H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,23,25,22,26,13,17,14,16,7,9,6,3,24,21,10,28,27,12,8,11,19,20,15,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(25,26)/CRV:28.6/rA:28cCCCCCCCNCCONCCOCCSOOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s8;d18;d18;s18;s21;d22;s23;d24;d21s25;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20Cl2N2O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.89037 |
Area: | 618.504 |
Solvation: | -5.57224 |
Coulombic: | -32.344 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 443.345 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.81 |
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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