2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide

C16H17N5O2S — CID 91650250

IUPAC2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NCCCn1cccn1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H17N5O2S/c22-24(23,20-9-5-11-21-10-4-8-19-21)15-12-17-16(18-13-15)14-6-2-1-3-7-14/h1-4,6-8,10,12-13,20H,5,9,11H2
InChIKeyGHMVIXIXFIVQOP-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.71
Rot. Bonds7

About 2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide

2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide (PubChem CID 91650250) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide
PubChem CID91650250
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NCCCn1cccn1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H17N5O2S/c22-24(23,20-9-5-11-21-10-4-8-19-21)15-12-17-16(18-13-15)14-6-2-1-3-7-14/h1-4,6-8,10,12-13,20H,5,9,11H2
InChIKeyGHMVIXIXFIVQOP-UHFFFAOYSA-N
XLogP1.71
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoropropyl)-2-phenylpyrimidine-5-sulfonamide
CID 86817588
N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide
CID 120713435
6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
CID 115602579
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459
6-cyano-N-(2-pyrazol-1-ylethyl)pyridine-3-sulfonamide
CID 114613817
2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
CID 100814421
3-(methylaminomethyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 106077063
5-(aminomethyl)-1-methyl-N-(3-pyrazol-1-ylpropyl)pyrrole-3-sulfonamide
CID 106077067
3-(piperidine-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 72877749
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
CID 112686403
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide (CID 91650250) is 2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide is O=S(=O)(NCCCn1cccn1)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide?
The InChIKey is GHMVIXIXFIVQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-24(23,20-9-5-11-21-10-4-8-19-21)15-12-17-16(18-13-15)14-6-2-1-3-7-14/h1-4,6-8,10,12-13,20H,5,9,11H2.
What are the key properties of 2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide?
2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 91650250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).