ChemDB: Chemical Search
Download
Chemical ID: 5079178
Chemical ID:
5079178
Name [?]:
N-pyrimidin-2-ylmethanesulfonamide
SMILES [?]:
CS(=O)(=O)Nc1ncccn1
InChi [?]:
InChI=1/C5H7N3O2S/c1-11(9,10)8-5-6-3-2-4-7-5/h2-4H,1H3,(H,6,7,8)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,6,7,11,5,3,4,2/E:(3,4)(6,7)(9,10)/CRV:11.6/rA:11nCSOONCNCCCN/rB:s1;d2;d2;s2;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H7N3O2S |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.62929 |
Area: | 308.303 |
Solvation: | -3.07829 |
Coulombic: | -19.7374 |
Bond Count [?]
All: | 11 |
Single: | 6 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 173.194 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.3 |
LogP (Chemaxon): | -0.9 |
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 |
---|