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

C21H23FN4O2S — CID 90556104

IUPACN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C21H23FN4O2S/c1-15-12-16(22)9-10-21(15)29(27,28)24-14-17-13-20(19-8-4-5-11-23-19)26(25-17)18-6-2-3-7-18/h4-5,8-13,18,24H,2-3,6-7,14H2,1H3
InChIKeyPOASAVJJYNRGMV-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.99
Rot. Bonds6

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

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 90556104) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID90556104
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C21H23FN4O2S/c1-15-12-16(22)9-10-21(15)29(27,28)24-14-17-13-20(19-8-4-5-11-23-19)26(25-17)18-6-2-3-7-18/h4-5,8-13,18,24H,2-3,6-7,14H2,1H3
InChIKeyPOASAVJJYNRGMV-UHFFFAOYSA-N
XLogP3.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide
CID 90556123
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
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]naphthalene-2-sulfonamide
CID 90556139
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide
CID 90556119
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90555989
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 90555872
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 90555890
5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555780
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90555478
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
CID 90555911
3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555898

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide (CID 90556104) is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is POASAVJJYNRGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-15-12-16(22)9-10-21(15)29(27,28)24-14-17-13-20(19-8-4-5-11-23-19)26(25-17)18-6-2-3-7-18/h4-5,8-13,18,24H,2-3,6-7,14H2,1H3.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 90556104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).