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

C17H18FN3O2S2 — CID 42350325

IUPACN-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccc(F)cc2)c(-c2cccs2)n1
InChIInChI=1S/C17H18FN3O2S2/c1-12(2)21-11-16(17(20-21)15-4-3-9-24-15)25(22,23)19-10-13-5-7-14(18)8-6-13/h3-9,11-12,19H,10H2,1-2H3
InChIKeyGQHTWKRYMKJYFV-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.81
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350325) has the molecular formula C17H18FN3O2S2 and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350325
Molecular FormulaC17H18FN3O2S2
Molecular Weight379.48 g/mol
Exact Mass379.08
IUPAC NameN-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccc(F)cc2)c(-c2cccs2)n1
InChIInChI=1S/C17H18FN3O2S2/c1-12(2)21-11-16(17(20-21)15-4-3-9-24-15)25(22,23)19-10-13-5-7-14(18)8-6-13/h3-9,11-12,19H,10H2,1-2H3
InChIKeyGQHTWKRYMKJYFV-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.81
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-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350325) is N-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCc2ccc(F)cc2)c(-c2cccs2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is GQHTWKRYMKJYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S2/c1-12(2)21-11-16(17(20-21)15-4-3-9-24-15)25(22,23)19-10-13-5-7-14(18)8-6-13/h3-9,11-12,19H,10H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-[(4-fluorophenyl)methyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 379.48 g/mol, XLogP of 3.81, 6 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-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).