1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide

C15H20N4O4S — CID 91788360

IUPAC1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cn1
InChIInChI=1S/C15H20N4O4S/c1-19-9-13(8-17-19)24(20,21)18-14-5-7-22-11-15(14)23-10-12-4-2-3-6-16-12/h2-4,6,8-9,14-15,18H,5,7,10-11H2,1H3/t14-,15-/m1/s1
InChIKeyQGVQNPVCUXSIAY-HUUCEWRRSA-N
MW352.42 g/mol
LogP0.47
Rot. Bonds6

About 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide

1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide (PubChem CID 91788360) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide
PubChem CID91788360
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cn1
InChIInChI=1S/C15H20N4O4S/c1-19-9-13(8-17-19)24(20,21)18-14-5-7-22-11-15(14)23-10-12-4-2-3-6-16-12/h2-4,6,8-9,14-15,18H,5,7,10-11H2,1H3/t14-,15-/m1/s1
InChIKeyQGVQNPVCUXSIAY-HUUCEWRRSA-N
XLogP0.47
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide (CID 91788360) is 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cn1.
What is the InChIKey of 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide?
The InChIKey is QGVQNPVCUXSIAY-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-19-9-13(8-17-19)24(20,21)18-14-5-7-22-11-15(14)23-10-12-4-2-3-6-16-12/h2-4,6,8-9,14-15,18H,5,7,10-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide?
1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 91788360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).