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

C21H23FN4O3S — CID 71797594

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C21H23FN4O3S/c1-29-20-7-6-16(22)12-21(20)30(27,28)24-14-17-13-19(15-8-10-23-11-9-15)26(25-17)18-4-2-3-5-18/h6-13,18,24H,2-5,14H2,1H3
InChIKeyLDPLGDSSHREUCY-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.69
Rot. Bonds7

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

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 71797594) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID71797594
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C21H23FN4O3S/c1-29-20-7-6-16(22)12-21(20)30(27,28)24-14-17-13-19(15-8-10-23-11-9-15)26(25-17)18-4-2-3-5-18/h6-13,18,24H,2-5,14H2,1H3
InChIKeyLDPLGDSSHREUCY-UHFFFAOYSA-N
XLogP3.69
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.69
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]-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide (CID 71797594) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is LDPLGDSSHREUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-29-20-7-6-16(22)12-21(20)30(27,28)24-14-17-13-19(15-8-10-23-11-9-15)26(25-17)18-4-2-3-5-18/h6-13,18,24H,2-5,14H2,1H3.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 430.51 g/mol, XLogP of 3.69, 7 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]-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 71797594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).