Chemical ID: 7252897

CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)NCCc3ccc(cc3)OC
Chemical ID:
7252897
Name [?]:
N-[2-(4-methoxyphenyl)ethyl]-4-(methyl-phenyl-sulfamoyl)-benzamide
SMILES [?]:
CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)NCCc3ccc(cc3)OC
InChi [?]:
InChI=1/C23H24N2O4S/c1-25(20-6-4-3-5-7-20)30(27,28)22-14-10-19(11-15-22)23(26)24-17-16-18-8-12-21(29-2)13-9-18/h3-15H,16-17H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,30,6,5,7,4,8,24,28,14,16,25,27,13,17,22,21,23,15,3,26,12,18,20,2,19,10,11,29,9/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(27,28)/CRV:30.6/rA:30cCNCCCCCCSOOCCCCCCCONCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O4S
All Atoms:54
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.7151
Area:663.077
Solvation:-4.8618
Coulombic:-38.2267
Bond Count [?]
All:32
Single:20
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:424.514
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.47
LogP (Chemaxon):3.53

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