2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide

C15H15N3O3S — CID 53163502

IUPAC2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)Nc3ccccc3)c(C)o2)n[nH]1
InChIInChI=1S/C15H15N3O3S/c1-10-8-13(17-16-10)14-9-15(11(2)21-14)22(19,20)18-12-6-4-3-5-7-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyCRZLBGFDIVOMMP-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.09
Rot. Bonds4

About 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide

2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide (PubChem CID 53163502) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide
PubChem CID53163502
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)Nc3ccccc3)c(C)o2)n[nH]1
InChIInChI=1S/C15H15N3O3S/c1-10-8-13(17-16-10)14-9-15(11(2)21-14)22(19,20)18-12-6-4-3-5-7-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyCRZLBGFDIVOMMP-UHFFFAOYSA-N
XLogP3.09
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide?
The IUPAC name of 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide (CID 53163502) is 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide is Cc1cc(-c2cc(S(=O)(=O)Nc3ccccc3)c(C)o2)n[nH]1.
What is the InChIKey of 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide?
The InChIKey is CRZLBGFDIVOMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-10-8-13(17-16-10)14-9-15(11(2)21-14)22(19,20)18-12-6-4-3-5-7-12/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide?
2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-phenylfuran-3-sulfonamide is sourced from PubChem (CID 53163502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).