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

C19H22FN3O2S2 — CID 47069120

IUPACN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H22FN3O2S2/c1-23(27(24,25)19-10-6-12-26-19)11-4-2-3-9-17-14-18(22-21-17)15-7-5-8-16(20)13-15/h5-8,10,12-14H,2-4,9,11H2,1H3,(H,21,22)
InChIKeyYXFDURAQAZQHFH-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.31
Rot. Bonds9

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

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide (PubChem CID 47069120) has the molecular formula C19H22FN3O2S2 and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide
PubChem CID47069120
Molecular FormulaC19H22FN3O2S2
Molecular Weight407.54 g/mol
Exact Mass407.11
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H22FN3O2S2/c1-23(27(24,25)19-10-6-12-26-19)11-4-2-3-9-17-14-18(22-21-17)15-7-5-8-16(20)13-15/h5-8,10,12-14H,2-4,9,11H2,1H3,(H,21,22)
InChIKeyYXFDURAQAZQHFH-UHFFFAOYSA-N
XLogP4.31
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide (CID 47069120) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is YXFDURAQAZQHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S2/c1-23(27(24,25)19-10-6-12-26-19)11-4-2-3-9-17-14-18(22-21-17)15-7-5-8-16(20)13-15/h5-8,10,12-14H,2-4,9,11H2,1H3,(H,21,22).
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide?
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 407.54 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 47069120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).