4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide

C11H10N4O2S — CID 66656852

IUPAC4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESC=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C11H10N4O2S/c1-12-9-3-5-10(6-4-9)18(16,17)15-11-13-7-2-8-14-11/h2-8H,1H2,(H,13,14,15)
InChIKeyANFNYXOXBIDOFE-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.61
Rot. Bonds4

About 4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide

4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 66656852) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID66656852
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESC=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C11H10N4O2S/c1-12-9-3-5-10(6-4-9)18(16,17)15-11-13-7-2-8-14-11/h2-8H,1H2,(H,13,14,15)
InChIKeyANFNYXOXBIDOFE-UHFFFAOYSA-N
XLogP1.61
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)
CID 10010263
N-ethyl-4-(methylideneamino)benzenesulfonamide
CID 163819248
4-[(2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 135489321
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844403
4-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844825

Frequently Asked Questions

What is the IUPAC name of 4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide (CID 66656852) is 4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide is C=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is ANFNYXOXBIDOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-12-9-3-5-10(6-4-9)18(16,17)15-11-13-7-2-8-14-11/h2-8H,1H2,(H,13,14,15).
What are the key properties of 4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide?
4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 262.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 66656852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).