5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide

C15H14FN3O2S2 — CID 20947536

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)c1C
InChIInChI=1S/C15H14FN3O2S2/c1-9-10(2)17-18-15(9)13-7-8-14(22-13)23(20,21)19-12-5-3-11(16)4-6-12/h3-8,19H,1-2H3,(H,17,18)
InChIKeyMDQSYTUGZZHBDK-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.69
Rot. Bonds4

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide (PubChem CID 20947536) has the molecular formula C15H14FN3O2S2 and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
PubChem CID20947536
Molecular FormulaC15H14FN3O2S2
Molecular Weight351.43 g/mol
Exact Mass351.05
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)c1C
InChIInChI=1S/C15H14FN3O2S2/c1-9-10(2)17-18-15(9)13-7-8-14(22-13)23(20,21)19-12-5-3-11(16)4-6-12/h3-8,19H,1-2H3,(H,17,18)
InChIKeyMDQSYTUGZZHBDK-UHFFFAOYSA-N
XLogP3.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide (CID 20947536) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)c1C.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide?
The InChIKey is MDQSYTUGZZHBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S2/c1-9-10(2)17-18-15(9)13-7-8-14(22-13)23(20,21)19-12-5-3-11(16)4-6-12/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).