4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide

C24H27N5O2S2 — CID 56666643

IUPAC4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cnccn3)n[nH]c2-c2cccs2)cc1
InChIInChI=1S/C24H27N5O2S2/c1-2-3-4-6-18-8-10-19(11-9-18)33(30,31)27-13-12-20-23(21-17-25-14-15-26-21)28-29-24(20)22-7-5-16-32-22/h5,7-11,14-17,27H,2-4,6,12-13H2,1H3,(H,28,29)
InChIKeyHWMBQCSPTRZEOP-UHFFFAOYSA-N
MW481.65 g/mol
LogP4.85
Rot. Bonds11

About 4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide

4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 56666643) has the molecular formula C24H27N5O2S2 and a molecular weight of 481.65 g/mol. Its IUPAC name is 4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID56666643
Molecular FormulaC24H27N5O2S2
Molecular Weight481.65 g/mol
Exact Mass481.16
IUPAC Name4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cnccn3)n[nH]c2-c2cccs2)cc1
InChIInChI=1S/C24H27N5O2S2/c1-2-3-4-6-18-8-10-19(11-9-18)33(30,31)27-13-12-20-23(21-17-25-14-15-26-21)28-29-24(20)22-7-5-16-32-22/h5,7-11,14-17,27H,2-4,6,12-13H2,1H3,(H,28,29)
InChIKeyHWMBQCSPTRZEOP-UHFFFAOYSA-N
XLogP4.85
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide (CID 56666643) is 4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cnccn3)n[nH]c2-c2cccs2)cc1.
What is the InChIKey of 4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is HWMBQCSPTRZEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S2/c1-2-3-4-6-18-8-10-19(11-9-18)33(30,31)27-13-12-20-23(21-17-25-14-15-26-21)28-29-24(20)22-7-5-16-32-22/h5,7-11,14-17,27H,2-4,6,12-13H2,1H3,(H,28,29).
What are the key properties of 4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 481.65 g/mol, XLogP of 4.85, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 56666643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).