N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C15H14FN3O2S2 — CID 42349792

IUPACN-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccc(F)cc2)c(-c2cccs2)n1
InChIInChI=1S/C15H14FN3O2S2/c1-19-10-14(15(18-19)13-3-2-8-22-13)23(20,21)17-9-11-4-6-12(16)7-5-11/h2-8,10,17H,9H2,1H3
InChIKeyHTSIBSMOTBJDRY-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349792) has the molecular formula C15H14FN3O2S2 and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349792
Molecular FormulaC15H14FN3O2S2
Molecular Weight351.43 g/mol
Exact Mass351.05
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccc(F)cc2)c(-c2cccs2)n1
InChIInChI=1S/C15H14FN3O2S2/c1-19-10-14(15(18-19)13-3-2-8-22-13)23(20,21)17-9-11-4-6-12(16)7-5-11/h2-8,10,17H,9H2,1H3
InChIKeyHTSIBSMOTBJDRY-UHFFFAOYSA-N
XLogP2.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349792) is N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2ccc(F)cc2)c(-c2cccs2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is HTSIBSMOTBJDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S2/c1-19-10-14(15(18-19)13-3-2-8-22-13)23(20,21)17-9-11-4-6-12(16)7-5-11/h2-8,10,17H,9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).