ChemDB: Chemical Search
Download
Chemical ID: 4113673
Chemical ID:
4113673
Name [?]:
2-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(2-furylmethyl)acetamide
SMILES [?]:
CN(CC(=O)NCc1ccco1)S(=O)(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C14H15BrN2O4S/c1-17(10-14(18)16-9-12-3-2-8-21-12)22(19,20)13-6-4-11(15)5-7-13/h2-8H,9-10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,10,9,18,20,17,21,11,7,3,19,8,16,4,22,6,2,5,14,15,12,13/E:(4,5)(6,7)(19,20)/CRV:22.6/rA:22cCNCCONCCCCCOSOOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s8s11;s2;d13;d13;s13;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15BrN2O4S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.37976 |
Area: | 535.669 |
Solvation: | -5.01196 |
Coulombic: | -33.9805 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.25 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.61 |
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 |
---|