N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide

C17H18N4O2S — CID 75493390

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H18N4O2S/c22-24(23,11-9-16-6-4-5-10-18-16)20-13-15-12-19-21(14-15)17-7-2-1-3-8-17/h1-8,10,12,14,20H,9,11,13H2
InChIKeyQWOHNEOMIZJBCS-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.93
Rot. Bonds7

About N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide

N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 75493390) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide
PubChem CID75493390
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H18N4O2S/c22-24(23,11-9-16-6-4-5-10-18-16)20-13-15-12-19-21(14-15)17-7-2-1-3-8-17/h1-8,10,12,14,20H,9,11,13H2
InChIKeyQWOHNEOMIZJBCS-UHFFFAOYSA-N
XLogP1.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide
CID 16616688
N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 134017774
N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 47956780
1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine
CID 82539438
(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide
CID 31841750
2-[(1-phenylpyrazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111039426
1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
CID 95307548
2,3,4-trifluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 31841722
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 31111062

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide (CID 75493390) is N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is QWOHNEOMIZJBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,11-9-16-6-4-5-10-18-16)20-13-15-12-19-21(14-15)17-7-2-1-3-8-17/h1-8,10,12,14,20H,9,11,13H2.
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide?
N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 75493390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).