N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide

C16H21N3O3S — CID 56794915

IUPACN-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCO1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H21N3O3S/c20-23(21,13-16-8-4-5-9-22-16)18-15-10-17-19(12-15)11-14-6-2-1-3-7-14/h1-3,6-7,10,12,16,18H,4-5,8-9,11,13H2
InChIKeyIYJWXTDDSWDPCV-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.24
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide

N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide (PubChem CID 56794915) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide
PubChem CID56794915
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCO1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H21N3O3S/c20-23(21,13-16-8-4-5-9-22-16)18-15-10-17-19(12-15)11-14-6-2-1-3-7-14/h1-3,6-7,10,12,16,18H,4-5,8-9,11,13H2
InChIKeyIYJWXTDDSWDPCV-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methylbenzyl)-1H-pyrazol-4-yl]ethanesulfonamide
CID 19582228
N-[1-(3-fluorobenzyl)-1H-pyrazol-4-yl]ethanesulfonamide
CID 19582329
3,4-dimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810293
4-cyano-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810315
N-(2-fluoro-6-pyrazol-1-ylphenyl)-1-(oxan-2-yl)methanesulfonamide
CID 72003880
N-(5-fluoro-2-pyrazol-1-ylphenyl)-1-(oxan-2-yl)methanesulfonamide
CID 72128545
1-(2,5-difluorophenyl)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)methanesulfonamide
CID 72719682
2,4,6-trimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810290
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-1-(m-tolyl)methanesulfonamide
CID 71810307
(E)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(p-tolyl)ethenesulfonamide
CID 72719677
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]oxane-4-sulfonamide
CID 97586367
N-[(4-fluorophenyl)methyl]-N-(1-piperidin-4-ylpyrazol-4-yl)propane-1-sulfonamide
CID 141754622

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide (CID 56794915) is N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCCO1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide?
The InChIKey is IYJWXTDDSWDPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-23(21,13-16-8-4-5-9-22-16)18-15-10-17-19(12-15)11-14-6-2-1-3-7-14/h1-3,6-7,10,12,16,18H,4-5,8-9,11,13H2.
What are the key properties of N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide?
N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide is sourced from PubChem (CID 56794915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).