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

C14H13N3O3S — CID 53163451

IUPAC2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H13N3O3S/c1-10-14(9-13(20-10)12-7-8-15-16-12)21(18,19)17-11-5-3-2-4-6-11/h2-9,17H,1H3,(H,15,16)
InChIKeyVECOEAIKELJLDZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.78
Rot. Bonds4

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

2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (PubChem CID 53163451) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
PubChem CID53163451
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H13N3O3S/c1-10-14(9-13(20-10)12-7-8-15-16-12)21(18,19)17-11-5-3-2-4-6-11/h2-9,17H,1H3,(H,15,16)
InChIKeyVECOEAIKELJLDZ-UHFFFAOYSA-N
XLogP2.78
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The IUPAC name of 2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (CID 53163451) is 2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for 2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is Cc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The InChIKey is VECOEAIKELJLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-10-14(9-13(20-10)12-7-8-15-16-12)21(18,19)17-11-5-3-2-4-6-11/h2-9,17H,1H3,(H,15,16).
What are the key properties of 2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 53163451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).