N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide

C22H26N4O3S — CID 90556123

IUPACN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C22H26N4O3S/c1-2-29-21-12-5-6-13-22(21)30(27,28)24-16-17-15-20(19-11-7-8-14-23-19)26(25-17)18-9-3-4-10-18/h5-8,11-15,18,24H,2-4,9-10,16H2,1H3
InChIKeyCCXFTZUNJOKFEJ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.94
Rot. Bonds8

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

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide (PubChem CID 90556123) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide
PubChem CID90556123
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C22H26N4O3S/c1-2-29-21-12-5-6-13-22(21)30(27,28)24-16-17-15-20(19-11-7-8-14-23-19)26(25-17)18-9-3-4-10-18/h5-8,11-15,18,24H,2-4,9-10,16H2,1H3
InChIKeyCCXFTZUNJOKFEJ-UHFFFAOYSA-N
XLogP3.94
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 90556149
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 90556104
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide
CID 90556119
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide
CID 90556139
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 90555872
1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide
CID 90556137
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90555478
3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555898
2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555758
4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide
CID 90556015
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
CID 90555911
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide (CID 90556123) is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide is CCOc1ccccc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide?
The InChIKey is CCXFTZUNJOKFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-2-29-21-12-5-6-13-22(21)30(27,28)24-16-17-15-20(19-11-7-8-14-23-19)26(25-17)18-9-3-4-10-18/h5-8,11-15,18,24H,2-4,9-10,16H2,1H3.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide?
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide has a molecular weight of 426.54 g/mol, XLogP of 3.94, 8 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-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 90556123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).