2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide

C19H19F2N5O3S — CID 71711785

IUPAC2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1F
InChIInChI=1S/C19H19F2N5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-9-14(21)18(10-13(17)20)30(27,28)25-19-6-7-22-11-23-19/h5-12,16H,2-4H2,1H3,(H,22,23,25)/t12-,16+/m1/s1
InChIKeyGHOSFOBBUGQTRM-WBMJQRKESA-N
MW435.46 g/mol
LogP3.00
Rot. Bonds6

About 2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide

2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 71711785) has the molecular formula C19H19F2N5O3S and a molecular weight of 435.46 g/mol. Its IUPAC name is 2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID71711785
Molecular FormulaC19H19F2N5O3S
Molecular Weight435.46 g/mol
Exact Mass435.12
IUPAC Name2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1F
InChIInChI=1S/C19H19F2N5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-9-14(21)18(10-13(17)20)30(27,28)25-19-6-7-22-11-23-19/h5-12,16H,2-4H2,1H3,(H,22,23,25)/t12-,16+/m1/s1
InChIKeyGHOSFOBBUGQTRM-WBMJQRKESA-N
XLogP3.00
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide (CID 71711785) is 2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide is Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is GHOSFOBBUGQTRM-WBMJQRKESA-N. The full InChI is InChI=1S/C19H19F2N5O3S/c1-26-15(5-8-24-26)12-3-2-4-16(12)29-17-9-14(21)18(10-13(17)20)30(27,28)25-19-6-7-22-11-23-19/h5-12,16H,2-4H2,1H3,(H,22,23,25)/t12-,16+/m1/s1.
What are the key properties of 2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide?
2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 435.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 71711785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).