1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide

C18H16FN3O4S — CID 119034125

IUPAC1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1OCCC2O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C18H16FN3O4S/c19-14-5-1-2-7-16(14)22-11-12(10-20-22)27(24,25)21-15-6-3-4-13-17(23)8-9-26-18(13)15/h1-7,10-11,17,21,23H,8-9H2
InChIKeyOBSVTRJCMSCRAE-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.63
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide

1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide (PubChem CID 119034125) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide
PubChem CID119034125
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Name1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1OCCC2O)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C18H16FN3O4S/c19-14-5-1-2-7-16(14)22-11-12(10-20-22)27(24,25)21-15-6-3-4-13-17(23)8-9-26-18(13)15/h1-7,10-11,17,21,23H,8-9H2
InChIKeyOBSVTRJCMSCRAE-UHFFFAOYSA-N
XLogP2.63
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide (CID 119034125) is 1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide is O=S(=O)(Nc1cccc2c1OCCC2O)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide?
The InChIKey is OBSVTRJCMSCRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c19-14-5-1-2-7-16(14)22-11-12(10-20-22)27(24,25)21-15-6-3-4-13-17(23)8-9-26-18(13)15/h1-7,10-11,17,21,23H,8-9H2.
What are the key properties of 1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide?
1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide has a molecular weight of 389.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 119034125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).