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

C26H29N3O2S2 — CID 11294571

IUPAC4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3)n[nH]c2-c2cccs2)cc1
InChIInChI=1S/C26H29N3O2S2/c1-2-3-5-9-20-13-15-22(16-14-20)33(30,31)27-18-17-23-25(21-10-6-4-7-11-21)28-29-26(23)24-12-8-19-32-24/h4,6-8,10-16,19,27H,2-3,5,9,17-18H2,1H3,(H,28,29)
InChIKeyZMUIUSVZADZYAZ-UHFFFAOYSA-N
MW479.67 g/mol
LogP6.06
Rot. Bonds11

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

4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 11294571) has the molecular formula C26H29N3O2S2 and a molecular weight of 479.67 g/mol. Its IUPAC name is 4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID11294571
Molecular FormulaC26H29N3O2S2
Molecular Weight479.67 g/mol
Exact Mass479.17
IUPAC Name4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3)n[nH]c2-c2cccs2)cc1
InChIInChI=1S/C26H29N3O2S2/c1-2-3-5-9-20-13-15-22(16-14-20)33(30,31)27-18-17-23-25(21-10-6-4-7-11-21)28-29-26(23)24-12-8-19-32-24/h4,6-8,10-16,19,27H,2-3,5,9,17-18H2,1H3,(H,28,29)
InChIKeyZMUIUSVZADZYAZ-UHFFFAOYSA-N
XLogP6.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-3-phenyl-5-thiophen-2-yl-1H-pyrazole
CID 11466561
N-[2-(3,5-diphenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56659731
N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56663203
4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-3,5-dithiophen-2-yl-1H-pyrazole
CID 56673575
N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56680214
Pendrin inhibitor C01
CID 53138907
5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 20947471
2-Methyl-5-(3-methyl-1H-pyrazol-5-YL)-N-(1,2,3,4-tetrahydronaphthalen-1-YL)thiophene-3-sulfonamide
CID 53138862
3,5-Dimethyl-4-(4-methylphenyl)sulfanyl-1-thiophen-2-ylsulfonylpyrazole
CID 1080826
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
CID 20947530
1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine
CID 20947571
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide
CID 20947610

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide (CID 11294571) is 4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3)n[nH]c2-c2cccs2)cc1.
What is the InChIKey of 4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is ZMUIUSVZADZYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S2/c1-2-3-5-9-20-13-15-22(16-14-20)33(30,31)27-18-17-23-25(21-10-6-4-7-11-21)28-29-26(23)24-12-8-19-32-24/h4,6-8,10-16,19,27H,2-3,5,9,17-18H2,1H3,(H,28,29).
What are the key properties of 4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 479.67 g/mol, XLogP of 6.06, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 11294571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).