Chemical ID: 4108749

c1cc(ccc1CN(CC(=O)N2CCOCC2)S(=O)(=O)c3ccc(cc3)Cl)Cl
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

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Descriptor Annotations

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