N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C14H11F2N3O2S2 — CID 20947422

IUPACN-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)n[nH]1
InChIInChI=1S/C14H11F2N3O2S2/c1-8-6-12(18-17-8)13-4-5-14(22-13)23(20,21)19-11-3-2-9(15)7-10(11)16/h2-7,19H,1H3,(H,17,18)
InChIKeyCKIOPAIFKJJGAL-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.53
Rot. Bonds4

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

N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 20947422) has the molecular formula C14H11F2N3O2S2 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID20947422
Molecular FormulaC14H11F2N3O2S2
Molecular Weight355.39 g/mol
Exact Mass355.03
IUPAC NameN-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)n[nH]1
InChIInChI=1S/C14H11F2N3O2S2/c1-8-6-12(18-17-8)13-4-5-14(22-13)23(20,21)19-11-3-2-9(15)7-10(11)16/h2-7,19H,1H3,(H,17,18)
InChIKeyCKIOPAIFKJJGAL-UHFFFAOYSA-N
XLogP3.53
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 20947422) is N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)n[nH]1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is CKIOPAIFKJJGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2S2/c1-8-6-12(18-17-8)13-4-5-14(22-13)23(20,21)19-11-3-2-9(15)7-10(11)16/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 355.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).