ChemDB: Chemical Search
Download
Chemical ID: 4078098
Chemical ID:
4078098
Name [?]:
5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILES [?]:
COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)Cl
InChi [?]:
InChI=1/C12H12ClNO3S2/c1-17-10-4-2-9(3-5-10)8-14-19(15,16)12-7-6-11(13)18-12/h2-7,14H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,16,15,9,6,3,17,14,19,10,12,13,2,18,11/E:(2,3)(4,5)(15,16)/CRV:19.6/rA:19nCOCCCCCCCNSOOCCCCSCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;d11;s11;d14;s15;d16;s14s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12ClNO3S2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03992 |
Area: | 501.644 |
Solvation: | -3.50117 |
Coulombic: | -20.9007 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.813 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.81 |
LogP (Chemaxon): | 2.49 |
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 |
---|