N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide

C15H21N3O4S — CID 164636850

IUPACN-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
SMILESCCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C15H21N3O4S/c1-2-18(11-12-5-3-4-10-21-12)23(19,20)15-7-6-14(22-15)13-8-9-16-17-13/h6-9,12H,2-5,10-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyNMZHGMICZDYLHU-GFCCVEGCSA-N
MW339.42 g/mol
LogP2.25
Rot. Bonds6

About N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide

N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide (PubChem CID 164636850) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
PubChem CID164636850
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide
SMILESCCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C15H21N3O4S/c1-2-18(11-12-5-3-4-10-21-12)23(19,20)15-7-6-14(22-15)13-8-9-16-17-13/h6-9,12H,2-5,10-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyNMZHGMICZDYLHU-GFCCVEGCSA-N
XLogP2.25
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide?
The IUPAC name of N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide (CID 164636850) is N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide?
The canonical SMILES for N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide is CCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide?
The InChIKey is NMZHGMICZDYLHU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-2-18(11-12-5-3-4-10-21-12)23(19,20)15-7-6-14(22-15)13-8-9-16-17-13/h6-9,12H,2-5,10-11H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide?
N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(2R)-oxan-2-yl]methyl]-5-(1H-pyrazol-5-yl)furan-2-sulfonamide is sourced from PubChem (CID 164636850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).