formic acid;N-pyrimidin-4-ylbenzenesulfonamide

C11H11N3O4S — CID 139434719

IUPACformic acid;N-pyrimidin-4-ylbenzenesulfonamide
SMILESO=CO.O=S(=O)(Nc1ccncn1)c1ccccc1
InChIInChI=1S/C10H9N3O2S.CH2O2/c14-16(15,9-4-2-1-3-5-9)13-10-6-7-11-8-12-10;2-1-3/h1-8H,(H,11,12,13);1H,(H,2,3)
InChIKeyQCFPNSHYRDRORU-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.98
Rot. Bonds3

About formic acid;N-pyrimidin-4-ylbenzenesulfonamide

formic acid;N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 139434719) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is formic acid;N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Nameformic acid;N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID139434719
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Nameformic acid;N-pyrimidin-4-ylbenzenesulfonamide
SMILESO=CO.O=S(=O)(Nc1ccncn1)c1ccccc1
InChIInChI=1S/C10H9N3O2S.CH2O2/c14-16(15,9-4-2-1-3-5-9)13-10-6-7-11-8-12-10;2-1-3/h1-8H,(H,11,12,13);1H,(H,2,3)
InChIKeyQCFPNSHYRDRORU-UHFFFAOYSA-N
XLogP0.98
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.98
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

N-[4-(pyrimidin-4-ylsulfamoyl)phenyl]acetamide
CID 121014999
2-methyl-N-pyrimidin-4-ylbenzenesulfonamide
CID 141412020
4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 59465998
4-[4-[(3R)-3-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 59465831
N-methylmethanamine;molecular hydrogen;4-[4-(3-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 157180122
2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide
CID 142722053
4-[4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 161078777
(E)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 5344094
N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide
CID 59465873
6-(benzenesulfonamido)pyridine-2-carboxylic acid
CID 5263740
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 4915020

Frequently Asked Questions

What is the IUPAC name of formic acid;N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of formic acid;N-pyrimidin-4-ylbenzenesulfonamide (CID 139434719) is formic acid;N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for formic acid;N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for formic acid;N-pyrimidin-4-ylbenzenesulfonamide is O=CO.O=S(=O)(Nc1ccncn1)c1ccccc1.
What is the InChIKey of formic acid;N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is QCFPNSHYRDRORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S.CH2O2/c14-16(15,9-4-2-1-3-5-9)13-10-6-7-11-8-12-10;2-1-3/h1-8H,(H,11,12,13);1H,(H,2,3).
What are the key properties of formic acid;N-pyrimidin-4-ylbenzenesulfonamide?
formic acid;N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 281.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 139434719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).