N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

C18H20N4O2S2 — CID 71797591

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1cccs1
InChIInChI=1S/C18H20N4O2S2/c23-26(24,18-6-3-11-25-18)20-13-15-12-17(14-7-9-19-10-8-14)22(21-15)16-4-1-2-5-16/h3,6-12,16,20H,1-2,4-5,13H2
InChIKeyQHIYHIFIXHDUOW-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.60
Rot. Bonds6

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 71797591) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID71797591
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1cccs1
InChIInChI=1S/C18H20N4O2S2/c23-26(24,18-6-3-11-25-18)20-13-15-12-17(14-7-9-19-10-8-14)22(21-15)16-4-1-2-5-16/h3,6-12,16,20H,1-2,4-5,13H2
InChIKeyQHIYHIFIXHDUOW-UHFFFAOYSA-N
XLogP3.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (CID 71797591) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1cccs1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is QHIYHIFIXHDUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c23-26(24,18-6-3-11-25-18)20-13-15-12-17(14-7-9-19-10-8-14)22(21-15)16-4-1-2-5-16/h3,6-12,16,20H,1-2,4-5,13H2.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 388.52 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71797591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).