N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide

C14H12FN3O2S2 — CID 22204993

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccccc2F)n1)c1cccs1
InChIInChI=1S/C14H12FN3O2S2/c15-12-5-2-1-4-11(12)10-18-8-7-13(16-18)17-22(19,20)14-6-3-9-21-14/h1-9H,10H2,(H,16,17)
InChIKeyRZXUAEJMZIRPHT-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.93
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 22204993) has the molecular formula C14H12FN3O2S2 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID22204993
Molecular FormulaC14H12FN3O2S2
Molecular Weight337.40 g/mol
Exact Mass337.04
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2ccccc2F)n1)c1cccs1
InChIInChI=1S/C14H12FN3O2S2/c15-12-5-2-1-4-11(12)10-18-8-7-13(16-18)17-22(19,20)14-6-3-9-21-14/h1-9H,10H2,(H,16,17)
InChIKeyRZXUAEJMZIRPHT-UHFFFAOYSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide (CID 22204993) is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccn(Cc2ccccc2F)n1)c1cccs1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is RZXUAEJMZIRPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S2/c15-12-5-2-1-4-11(12)10-18-8-7-13(16-18)17-22(19,20)14-6-3-9-21-14/h1-9H,10H2,(H,16,17).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22204993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).