Chemical ID: 5381905

Cc1ccc(c(c1)NS(=O)(=O)c2cc(ccc2C)C(=O)NCc3ccccc3)C
Chemical ID:
5381905
Name [?]:
N-benzyl-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2cc(ccc2C)C(=O)NCc3ccccc3)C
InChi [?]:
InChI=1/C23H24N2O3S/c1-16-9-10-17(2)21(13-16)25-29(27,28)22-14-20(12-11-18(22)3)23(26)24-15-19-7-5-4-6-8-19/h4-14,25H,15H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,29,18,26,25,27,24,28,3,4,16,15,7,13,22,2,5,17,23,14,6,12,19,21,8,20,10,11,9/E:(5,6)(7,8)(27,28)/CRV:29.6/rA:29nCCCCCCCNSOOCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.3723
Area:620.801
Solvation:-3.1477
Coulombic:-36.1674
Bond Count [?]
All:31
Single:19
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:408.514
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.72
LogP (Chemaxon):4.68

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Descriptor Annotations

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