ChemDB: Chemical Search
Download
Chemical ID: 4434881
Chemical ID:
4434881
Name [?]:
N-[4-(dimethylsulfamoyl)phenyl]-2-iodo-benzamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)c2ccccc2I
InChi [?]:
InChI=1/C15H15IN2O3S/c1-18(2)22(20,21)12-9-7-11(8-10-12)17-15(19)13-5-3-4-6-14(13)16/h3-10H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,17,20,9,11,8,12,10,7,16,21,14,22,13,2,15,5,6,4/E:(1,2)(7,8)(9,10)(20,21)/CRV:22.6/rA:22nCNCSOOCCCCCCNCOCCCCCCI/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15IN2O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1307 |
Area: | 526.778 |
Solvation: | -3.03872 |
Coulombic: | -28.8971 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 430.262 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.22 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|