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

C14H13N3O2S2 — CID 20947497

IUPAC5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)n[nH]1
InChIInChI=1S/C14H13N3O2S2/c1-10-9-12(16-15-10)13-7-8-14(20-13)21(18,19)17-11-5-3-2-4-6-11/h2-9,17H,1H3,(H,15,16)
InChIKeyVIQJZKBQPCWFRJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.25
Rot. Bonds4

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

5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide (PubChem CID 20947497) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
PubChem CID20947497
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)n[nH]1
InChIInChI=1S/C14H13N3O2S2/c1-10-9-12(16-15-10)13-7-8-14(20-13)21(18,19)17-11-5-3-2-4-6-11/h2-9,17H,1H3,(H,15,16)
InChIKeyVIQJZKBQPCWFRJ-UHFFFAOYSA-N
XLogP3.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide?
The IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide (CID 20947497) is 5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide?
The canonical SMILES for 5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)n[nH]1.
What is the InChIKey of 5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide?
The InChIKey is VIQJZKBQPCWFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-10-9-12(16-15-10)13-7-8-14(20-13)21(18,19)17-11-5-3-2-4-6-11/h2-9,17H,1H3,(H,15,16).
What are the key properties of 5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide?
5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 20947497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).