formic acid;2-pyrimidin-4-ylbenzenesulfonamide

C11H11N3O4S — CID 159249968

IUPACformic acid;2-pyrimidin-4-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccncn1.O=CO
InChIInChI=1S/C10H9N3O2S.CH2O2/c11-16(14,15)10-4-2-1-3-8(10)9-5-6-12-7-13-9;2-1-3/h1-7H,(H2,11,14,15);1H,(H,2,3)
InChIKeyKVDZIRFCUQYWRV-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.49
Rot. Bonds2

About formic acid;2-pyrimidin-4-ylbenzenesulfonamide

formic acid;2-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 159249968) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is formic acid;2-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Nameformic acid;2-pyrimidin-4-ylbenzenesulfonamide
PubChem CID159249968
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Nameformic acid;2-pyrimidin-4-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccncn1.O=CO
InChIInChI=1S/C10H9N3O2S.CH2O2/c11-16(14,15)10-4-2-1-3-8(10)9-5-6-12-7-13-9;2-1-3/h1-7H,(H2,11,14,15);1H,(H,2,3)
InChIKeyKVDZIRFCUQYWRV-UHFFFAOYSA-N
XLogP0.49
TPSA123.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-pyrimidin-4-ylbenzenesulfonamide
CID 175302030
2-aminobenzenesulfonamide;4-methoxypyrimidine
CID 163526162
2-(pyrimidin-4-ylamino)benzenesulfonamide
CID 69322582
3-hydroxy-2-pyrimidin-4-ylinden-1-one
CID 135507037
2-aminobenzenesulfonamide;pyridine
CID 159520045
2-(pyrimidin-4-ylmethylamino)benzenesulfonamide
CID 114111495
N-methyl-2-pyrimidin-4-ylbenzamide
CID 68804434
2-(thiadiazol-4-yl)benzenesulfonamide
CID 141367907
4,5-difluoro-2-pyrimidin-4-ylbenzaldehyde
CID 89485663
N'-amino-2-[4-[(pyrimidin-4-ylmethylamino)methyl]phenyl]-6-sulfamoylbenzenecarboximidamide
CID 144893266
4-(2-fluoro-3-pyridinyl)pyrimidine
CID 67036363
2-chloro-3-pyrimidin-4-ylbenzenethiol
CID 166070548

Frequently Asked Questions

What is the IUPAC name of formic acid;2-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of formic acid;2-pyrimidin-4-ylbenzenesulfonamide (CID 159249968) is formic acid;2-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for formic acid;2-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for formic acid;2-pyrimidin-4-ylbenzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccncn1.O=CO.
What is the InChIKey of formic acid;2-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is KVDZIRFCUQYWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S.CH2O2/c11-16(14,15)10-4-2-1-3-8(10)9-5-6-12-7-13-9;2-1-3/h1-7H,(H2,11,14,15);1H,(H,2,3).
What are the key properties of formic acid;2-pyrimidin-4-ylbenzenesulfonamide?
formic acid;2-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 281.29 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 159249968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).