N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide

C14H16F3N3O4S — CID 164641023

IUPACN-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
SMILESCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1
InChIInChI=1S/C14H16F3N3O4S/c1-20(8-9-3-2-6-23-9)25(21,22)13-5-4-11(24-13)10-7-12(19-18-10)14(15,16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyIZHWFFLNNZMQDZ-SECBINFHSA-N
MW379.36 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide

N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide (PubChem CID 164641023) has the molecular formula C14H16F3N3O4S and a molecular weight of 379.36 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
PubChem CID164641023
Molecular FormulaC14H16F3N3O4S
Molecular Weight379.36 g/mol
Exact Mass379.08
IUPAC NameN-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
SMILESCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1
InChIInChI=1S/C14H16F3N3O4S/c1-20(8-9-3-2-6-23-9)25(21,22)13-5-4-11(24-13)10-7-12(19-18-10)14(15,16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyIZHWFFLNNZMQDZ-SECBINFHSA-N
XLogP2.49
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide?
The IUPAC name of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide (CID 164641023) is N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide?
The canonical SMILES for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide is CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1.
What is the InChIKey of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide?
The InChIKey is IZHWFFLNNZMQDZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F3N3O4S/c1-20(8-9-3-2-6-23-9)25(21,22)13-5-4-11(24-13)10-7-12(19-18-10)14(15,16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide?
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide has a molecular weight of 379.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide is sourced from PubChem (CID 164641023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).