1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide

C15H20N4O3S — CID 91629862

IUPAC1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC(c2cccnc2)C2CCOCC2)cn1
InChIInChI=1S/C15H20N4O3S/c1-19-11-14(10-17-19)23(20,21)18-15(12-4-7-22-8-5-12)13-3-2-6-16-9-13/h2-3,6,9-12,15,18H,4-5,7-8H2,1H3
InChIKeyIOBWYRQFQSPCJM-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.26
Rot. Bonds5

About 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide

1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 91629862) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide
PubChem CID91629862
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC(c2cccnc2)C2CCOCC2)cn1
InChIInChI=1S/C15H20N4O3S/c1-19-11-14(10-17-19)23(20,21)18-15(12-4-7-22-8-5-12)13-3-2-6-16-9-13/h2-3,6,9-12,15,18H,4-5,7-8H2,1H3
InChIKeyIOBWYRQFQSPCJM-UHFFFAOYSA-N
XLogP1.26
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-pyrazol-1-yl)-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)propanamide
CID 91629822
2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 110258914
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 71810291
1-phenyl-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)methanesulfonamide
CID 91629855
[(S)-(3-pyridyl)(tetrahydro-4H-pyran-4-yl)methyl](3-pyridylsulfonyl)amine
CID 100702172
[(S)-(3-pyridyl)(tetrahydro-4H-pyran-4-yl)methyl][p-(1-pyrazolyl)phenylsulfonyl]amine
CID 100702681
1-ethyl-1H-pyrazol-4-yl [(3S,4R)-3-(methoxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl] sulfone
CID 110202702
[(1-Ethylpyrazol-4-yl)sulfonyl](3-pyridylmethyl)amine
CID 6465525
1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
CID 45822243
1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide
CID 45822331
N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-1-methylpyrazole-4-sulfonamide
CID 53606435
N-[(cis-3-hydroxycyclobutyl)(quinolin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 91792904

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide (CID 91629862) is 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC(c2cccnc2)C2CCOCC2)cn1.
What is the InChIKey of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is IOBWYRQFQSPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-19-11-14(10-17-19)23(20,21)18-15(12-4-7-22-8-5-12)13-3-2-6-16-9-13/h2-3,6,9-12,15,18H,4-5,7-8H2,1H3.
What are the key properties of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide?
1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 91629862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).