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

C16H16FN3O2S2 — CID 42350010

IUPACN-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)c(-c2cccs2)n1
InChIInChI=1S/C16H16FN3O2S2/c1-20-11-15(16(19-20)14-3-2-10-23-14)24(21,22)18-9-8-12-4-6-13(17)7-5-12/h2-7,10-11,18H,8-9H2,1H3
InChIKeyQJRPUNXAKZKXDJ-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.81
Rot. Bonds6

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

N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350010) has the molecular formula C16H16FN3O2S2 and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350010
Molecular FormulaC16H16FN3O2S2
Molecular Weight365.46 g/mol
Exact Mass365.07
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)c(-c2cccs2)n1
InChIInChI=1S/C16H16FN3O2S2/c1-20-11-15(16(19-20)14-3-2-10-23-14)24(21,22)18-9-8-12-4-6-13(17)7-5-12/h2-7,10-11,18H,8-9H2,1H3
InChIKeyQJRPUNXAKZKXDJ-UHFFFAOYSA-N
XLogP2.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350010) is N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCc2ccc(F)cc2)c(-c2cccs2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is QJRPUNXAKZKXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S2/c1-20-11-15(16(19-20)14-3-2-10-23-14)24(21,22)18-9-8-12-4-6-13(17)7-5-12/h2-7,10-11,18H,8-9H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).