1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide

C16H14FN3O4S — CID 100680192

IUPAC1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide
SMILESCOc1cc(O)cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1
InChIInChI=1S/C16H14FN3O4S/c1-24-13-7-11(6-12(21)8-13)19-25(22,23)14-9-18-20(10-14)16-5-3-2-4-15(16)17/h2-10,19,21H,1H3
InChIKeyVKKCMAZUMTYGOZ-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.53
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide

1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide (PubChem CID 100680192) has the molecular formula C16H14FN3O4S and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide
PubChem CID100680192
Molecular FormulaC16H14FN3O4S
Molecular Weight363.37 g/mol
Exact Mass363.07
IUPAC Name1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide
SMILESCOc1cc(O)cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1
InChIInChI=1S/C16H14FN3O4S/c1-24-13-7-11(6-12(21)8-13)19-25(22,23)14-9-18-20(10-14)16-5-3-2-4-15(16)17/h2-10,19,21H,1H3
InChIKeyVKKCMAZUMTYGOZ-UHFFFAOYSA-N
XLogP2.53
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
CID 119983754
1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide
CID 166215188
1-(2-fluorophenyl)-N-[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-8-yl]pyrazole-4-sulfonamide
CID 100699329
1-(2-fluorophenyl)-N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)pyrazole-4-sulfonamide
CID 119034125
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride
CID 119983753
1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 119974341
4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 166198354
N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide
CID 120583442
2-chloro-4-(difluoromethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonylbenzamide
CID 166365928
1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride
CID 120586182
1-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 95348121
1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide
CID 70143150

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide (CID 100680192) is 1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide is COc1cc(O)cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide?
The InChIKey is VKKCMAZUMTYGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S/c1-24-13-7-11(6-12(21)8-13)19-25(22,23)14-9-18-20(10-14)16-5-3-2-4-15(16)17/h2-10,19,21H,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide?
1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide has a molecular weight of 363.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 100680192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).