N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide

C16H16N4O2S — CID 95738742

IUPACN-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cnn(-c2ccccn2)c1)c1ccccc1
InChIInChI=1S/C16H16N4O2S/c1-13(14-7-3-2-4-8-14)19-23(21,22)15-11-18-20(12-15)16-9-5-6-10-17-16/h2-13,19H,1H3/t13-/m1/s1
InChIKeyOTZOXNNFLXNMLB-CYBMUJFWSA-N
MW328.40 g/mol
LogP2.31
Rot. Bonds5

About N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide

N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide (PubChem CID 95738742) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
PubChem CID95738742
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cnn(-c2ccccn2)c1)c1ccccc1
InChIInChI=1S/C16H16N4O2S/c1-13(14-7-3-2-4-8-14)19-23(21,22)15-11-18-20(12-15)16-9-5-6-10-17-16/h2-13,19H,1H3/t13-/m1/s1
InChIKeyOTZOXNNFLXNMLB-CYBMUJFWSA-N
XLogP2.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688101
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688094
N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688083
1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106036746
2-(4-propan-2-ylpyrazol-1-yl)pyridine
CID 58142776
N-(3-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688105
N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 54857001
N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688053
N-[(5-methylfuran-2-yl)methyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688165
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide
CID 95738781

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide (CID 95738742) is N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide is C[C@@H](NS(=O)(=O)c1cnn(-c2ccccn2)c1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide?
The InChIKey is OTZOXNNFLXNMLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-13(14-7-3-2-4-8-14)19-23(21,22)15-11-18-20(12-15)16-9-5-6-10-17-16/h2-13,19H,1H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide?
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 95738742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).