N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide

C14H9F4N3O2S2 — CID 22205603

IUPACN-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1cccs1
InChIInChI=1S/C14H9F4N3O2S2/c15-9-6-10(16)14(18)8(13(9)17)7-21-4-3-11(19-21)20-25(22,23)12-2-1-5-24-12/h1-6H,7H2,(H,19,20)
InChIKeyNKOLFEZUCSAIGS-UHFFFAOYSA-N
MW391.37 g/mol
LogP3.35
Rot. Bonds5

About N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide

N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 22205603) has the molecular formula C14H9F4N3O2S2 and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID22205603
Molecular FormulaC14H9F4N3O2S2
Molecular Weight391.37 g/mol
Exact Mass391.01
IUPAC NameN-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1cccs1
InChIInChI=1S/C14H9F4N3O2S2/c15-9-6-10(16)14(18)8(13(9)17)7-21-4-3-11(19-21)20-25(22,23)12-2-1-5-24-12/h1-6H,7H2,(H,19,20)
InChIKeyNKOLFEZUCSAIGS-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide (CID 22205603) is N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1cccs1.
What is the InChIKey of N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is NKOLFEZUCSAIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3O2S2/c15-9-6-10(16)14(18)8(13(9)17)7-21-4-3-11(19-21)20-25(22,23)12-2-1-5-24-12/h1-6H,7H2,(H,19,20).
What are the key properties of N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 391.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22205603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).