2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide

C15H12F3N3O4S — CID 53163433

IUPAC2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3O4S/c1-9-14(8-13(24-9)12-6-7-19-20-12)26(22,23)21-10-2-4-11(5-3-10)25-15(16,17)18/h2-8,21H,1H3,(H,19,20)
InChIKeyVWKBRRRBUCQNMF-UHFFFAOYSA-N
MW387.34 g/mol
LogP3.68
Rot. Bonds5

About 2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide

2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide (PubChem CID 53163433) has the molecular formula C15H12F3N3O4S and a molecular weight of 387.34 g/mol. Its IUPAC name is 2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide
PubChem CID53163433
Molecular FormulaC15H12F3N3O4S
Molecular Weight387.34 g/mol
Exact Mass387.05
IUPAC Name2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3O4S/c1-9-14(8-13(24-9)12-6-7-19-20-12)26(22,23)21-10-2-4-11(5-3-10)25-15(16,17)18/h2-8,21H,1H3,(H,19,20)
InChIKeyVWKBRRRBUCQNMF-UHFFFAOYSA-N
XLogP3.68
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide?
The IUPAC name of 2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide (CID 53163433) is 2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide is Cc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide?
The InChIKey is VWKBRRRBUCQNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4S/c1-9-14(8-13(24-9)12-6-7-19-20-12)26(22,23)21-10-2-4-11(5-3-10)25-15(16,17)18/h2-8,21H,1H3,(H,19,20).
What are the key properties of 2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide?
2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide has a molecular weight of 387.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide is sourced from PubChem (CID 53163433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).