Chemical ID: 4461757

CCCCNC(=O)c1ccc(cc1)CN(c2ccccc2)S(=O)(=O)C
Chemical ID:
4461757
Name [?]:
N-butyl-4-[(methylsulfonyl-phenyl-amino)methyl]benzamide
SMILES [?]:
CCCCNC(=O)c1ccc(cc1)CN(c2ccccc2)S(=O)(=O)C
InChi [?]:
InChI=1/C19H24N2O3S/c1-3-4-14-20-19(22)17-12-10-16(11-13-17)15-21(25(2,23)24)18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,19,18,20,17,21,10,12,9,13,4,14,11,8,16,6,5,15,7,23,24,22/E:(6,7)(8,9)(10,11)(12,13)(23,24)/CRV:25.6/rA:25cCCCCNCOCCCCCCCNCCCCCCSOOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s15;d22;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.6728
Area:580.374
Solvation:-3.83656
Coulombic:-29.0775
Bond Count [?]
All:26
Single:17
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:360.472
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.29
LogP (Chemaxon):2.68

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