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

C23H28N4O2S — CID 90555457

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C23H28N4O2S/c1-17(2)18-7-9-22(10-8-18)30(28,29)25-16-20-15-23(19-11-13-24-14-12-19)27(26-20)21-5-3-4-6-21/h7-15,17,21,25H,3-6,16H2,1-2H3
InChIKeyRSODMURJPXBTCA-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.66
Rot. Bonds7

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

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 90555457) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID90555457
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C23H28N4O2S/c1-17(2)18-7-9-22(10-8-18)30(28,29)25-16-20-15-23(19-11-13-24-14-12-19)27(26-20)21-5-3-4-6-21/h7-15,17,21,25H,3-6,16H2,1-2H3
InChIKeyRSODMURJPXBTCA-UHFFFAOYSA-N
XLogP4.66
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide (CID 90555457) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is RSODMURJPXBTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-17(2)18-7-9-22(10-8-18)30(28,29)25-16-20-15-23(19-11-13-24-14-12-19)27(26-20)21-5-3-4-6-21/h7-15,17,21,25H,3-6,16H2,1-2H3.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 424.57 g/mol, XLogP of 4.66, 7 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-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 90555457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).