2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide

C16H17N5O2S — CID 122148653

IUPAC2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)Nc1ncc(C)c(-c2ccccc2)n1
InChIInChI=1S/C16H17N5O2S/c1-3-21-14(9-10-18-21)24(22,23)20-16-17-11-12(2)15(19-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,17,19,20)
InChIKeyYANKIFNINWUMDD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.47
Rot. Bonds5

About 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide

2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide (PubChem CID 122148653) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide
PubChem CID122148653
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)Nc1ncc(C)c(-c2ccccc2)n1
InChIInChI=1S/C16H17N5O2S/c1-3-21-14(9-10-18-21)24(22,23)20-16-17-11-12(2)15(19-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,17,19,20)
InChIKeyYANKIFNINWUMDD-UHFFFAOYSA-N
XLogP2.47
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
N-(2-ethylpyrazol-3-yl)benzenesulfonamide
CID 3280271
N-[(3,5-dimethylphenyl)methylsulfonyl]-2-ethylpyrazole-3-sulfonamide
CID 167825209
5-methyl-N-phenyl-4-pyridin-4-ylpyrimidin-2-amine
CID 70484958
N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide
CID 120713079
N-(2-amino-2-methylpropyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120711476
N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120708509
2,5-dimethyl-4-phenylpyrimidine;ethane
CID 143883358
N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 134701351
2-ethyl-N,N-dimethylpyrazole-3-sulfonamide
CID 130703242
5-methyl-2-(methylsulfanylmethyl)-4-phenylpyrimidine
CID 129064949
2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide
CID 120713883

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide (CID 122148653) is 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide is CCn1nccc1S(=O)(=O)Nc1ncc(C)c(-c2ccccc2)n1.
What is the InChIKey of 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide?
The InChIKey is YANKIFNINWUMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-3-21-14(9-10-18-21)24(22,23)20-16-17-11-12(2)15(19-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,17,19,20).
What are the key properties of 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide?
2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-methyl-4-phenylpyrimidin-2-yl)pyrazole-3-sulfonamide is sourced from PubChem (CID 122148653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).