1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide

C15H16FN3O3S — CID 75431340

IUPAC1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide
SMILESO=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C15H16FN3O3S/c16-14-3-1-2-4-15(14)19-9-13(8-17-19)23(21,22)18-12-6-5-11(7-12)10-20/h1-6,8-9,11-12,18,20H,7,10H2/t11-,12+/m0/s1
InChIKeyVMKDKIGTCYJDSB-NWDGAFQWSA-N
MW337.38 g/mol
LogP1.23
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide

1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide (PubChem CID 75431340) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide
PubChem CID75431340
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide
SMILESO=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C15H16FN3O3S/c16-14-3-1-2-4-15(14)19-9-13(8-17-19)23(21,22)18-12-6-5-11(7-12)10-20/h1-6,8-9,11-12,18,20H,7,10H2/t11-,12+/m0/s1
InChIKeyVMKDKIGTCYJDSB-NWDGAFQWSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide (CID 75431340) is 1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide is O=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide?
The InChIKey is VMKDKIGTCYJDSB-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c16-14-3-1-2-4-15(14)19-9-13(8-17-19)23(21,22)18-12-6-5-11(7-12)10-20/h1-6,8-9,11-12,18,20H,7,10H2/t11-,12+/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide?
1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide has a molecular weight of 337.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 75431340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).