N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide

C17H18FN3O2S2 — CID 55766512

IUPACN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18FN3O2S2/c1-21(25(22,23)17-5-3-11-24-17)10-2-4-15-12-16(20-19-15)13-6-8-14(18)9-7-13/h3,5-9,11-12H,2,4,10H2,1H3,(H,19,20)
InChIKeyHEQKMAIFUDCCLZ-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.53
Rot. Bonds7

About N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide (PubChem CID 55766512) has the molecular formula C17H18FN3O2S2 and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide
PubChem CID55766512
Molecular FormulaC17H18FN3O2S2
Molecular Weight379.48 g/mol
Exact Mass379.08
IUPAC NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18FN3O2S2/c1-21(25(22,23)17-5-3-11-24-17)10-2-4-15-12-16(20-19-15)13-6-8-14(18)9-7-13/h3,5-9,11-12H,2,4,10H2,1H3,(H,19,20)
InChIKeyHEQKMAIFUDCCLZ-UHFFFAOYSA-N
XLogP3.53
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide (CID 55766512) is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is HEQKMAIFUDCCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S2/c1-21(25(22,23)17-5-3-11-24-17)10-2-4-15-12-16(20-19-15)13-6-8-14(18)9-7-13/h3,5-9,11-12H,2,4,10H2,1H3,(H,19,20).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide?
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 379.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 55766512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).