1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide

C16H21N3O3S — CID 102555706

IUPAC1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCO1)NCc1ccccc1-n1cccn1
InChIInChI=1S/C16H21N3O3S/c20-23(21,13-15-7-3-4-11-22-15)18-12-14-6-1-2-8-16(14)19-10-5-9-17-19/h1-2,5-6,8-10,15,18H,3-4,7,11-13H2
InChIKeyYHVDWMZLCUSUDL-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.86
Rot. Bonds6

About 1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide

1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide (PubChem CID 102555706) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
PubChem CID102555706
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCO1)NCc1ccccc1-n1cccn1
InChIInChI=1S/C16H21N3O3S/c20-23(21,13-15-7-3-4-11-22-15)18-12-14-6-1-2-8-16(14)19-10-5-9-17-19/h1-2,5-6,8-10,15,18H,3-4,7,11-13H2
InChIKeyYHVDWMZLCUSUDL-UHFFFAOYSA-N
XLogP1.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
CID 95307548
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487
4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
CID 97157965
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176
4-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 79742029
(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
CID 56755678
N-[[3-(bromomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114298048
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
CID 62064595
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide (CID 102555706) is 1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide is O=S(=O)(CC1CCCCO1)NCc1ccccc1-n1cccn1.
What is the InChIKey of 1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
The InChIKey is YHVDWMZLCUSUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-23(21,13-15-7-3-4-11-22-15)18-12-14-6-1-2-8-16(14)19-10-5-9-17-19/h1-2,5-6,8-10,15,18H,3-4,7,11-13H2.
What are the key properties of 1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 102555706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).