Chemical ID: 6570700

Cc1cccc(c1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)C(=O)N3CC(OC(C3)C)C
Chemical ID:
6570700
Name [?]:
2,4-dichloro-5-(2,6-dimethylmorpholin-4-yl)carbonyl-N-(m-tolyl)benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)C(=O)N3CC(OC(C3)C)C
InChi [?]:
InChI=1/C20H22Cl2N2O4S/c1-12-5-4-6-15(7-12)23-29(26,27)19-8-16(17(21)9-18(19)22)20(25)24-10-13(2)28-14(3)11-24/h4-9,13-14,23H,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,4,3,5,7,13,16,27,23,2,26,24,6,14,15,17,12,20,19,18,8,22,21,10,11,25,9/E:(2,3)(10,11)(13,14)(26,27)/CRV:29.6/rA:29cCCCCCCCNSOOCCCCCCClClCONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s15;s14;d20;s20;s22;s23;s24;s25;s22s26;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22Cl2N2O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.2605
Area:633.732
Solvation:-4.58276
Coulombic:-36.5912
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:457.371
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.46
LogP (Chemaxon):3.74

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue