1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide

C16H21N3O3S — CID 71810307

IUPAC1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cnn(C3CCOCC3)c2)c1
InChIInChI=1S/C16H21N3O3S/c1-13-3-2-4-14(9-13)12-23(20,21)18-15-10-17-19(11-15)16-5-7-22-8-6-16/h2-4,9-11,16,18H,5-8,12H2,1H3
InChIKeyGGZISCQTKWXTHF-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.48
Rot. Bonds5

About 1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide

1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide (PubChem CID 71810307) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
PubChem CID71810307
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cnn(C3CCOCC3)c2)c1
InChIInChI=1S/C16H21N3O3S/c1-13-3-2-4-14(9-13)12-23(20,21)18-15-10-17-19(11-15)16-5-7-22-8-6-16/h2-4,9-11,16,18H,5-8,12H2,1H3
InChIKeyGGZISCQTKWXTHF-UHFFFAOYSA-N
XLogP2.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.48
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
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
CID 45815676
N-(1-benzylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide
CID 56794915
3,4-dimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810293
2,6-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810303
3,4-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810311
4-cyano-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810315
1-(2,5-difluorophenyl)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)methanesulfonamide
CID 72719682
2-(benzylthio)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810195
2,4,6-trimethyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810290
(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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide (CID 71810307) is 1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2cnn(C3CCOCC3)c2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide?
The InChIKey is GGZISCQTKWXTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-13-3-2-4-14(9-13)12-23(20,21)18-15-10-17-19(11-15)16-5-7-22-8-6-16/h2-4,9-11,16,18H,5-8,12H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide?
1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 71810307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).