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

C14H12FN3O2S2 — CID 42349876

IUPACN-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cccc(F)c2)c(-c2cccs2)n1
InChIInChI=1S/C14H12FN3O2S2/c1-18-9-13(14(16-18)12-6-3-7-21-12)22(19,20)17-11-5-2-4-10(15)8-11/h2-9,17H,1H3
InChIKeySDZMMGRUDKIPLD-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.09
Rot. Bonds4

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

N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349876) has the molecular formula C14H12FN3O2S2 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349876
Molecular FormulaC14H12FN3O2S2
Molecular Weight337.40 g/mol
Exact Mass337.04
IUPAC NameN-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cccc(F)c2)c(-c2cccs2)n1
InChIInChI=1S/C14H12FN3O2S2/c1-18-9-13(14(16-18)12-6-3-7-21-12)22(19,20)17-11-5-2-4-10(15)8-11/h2-9,17H,1H3
InChIKeySDZMMGRUDKIPLD-UHFFFAOYSA-N
XLogP3.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349876) is N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cccc(F)c2)c(-c2cccs2)n1.
What is the InChIKey of N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is SDZMMGRUDKIPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S2/c1-18-9-13(14(16-18)12-6-3-7-21-12)22(19,20)17-11-5-2-4-10(15)8-11/h2-9,17H,1H3.
What are the key properties of N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).