1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide

C16H14FIN4O3S — CID 70143150

IUPAC1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnn(-c3ncc(CF)cc3I)c2)cc1
InChIInChI=1S/C16H14FIN4O3S/c1-25-13-4-2-12(3-5-13)21-26(23,24)14-9-20-22(10-14)16-15(18)6-11(7-17)8-19-16/h2-6,8-10,21H,7H2,1H3
InChIKeyLGYZHPGAVKQFKT-UHFFFAOYSA-N
MW488.28 g/mol
LogP3.15
Rot. Bonds6

About 1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide

1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide (PubChem CID 70143150) has the molecular formula C16H14FIN4O3S and a molecular weight of 488.28 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide
PubChem CID70143150
Molecular FormulaC16H14FIN4O3S
Molecular Weight488.28 g/mol
Exact Mass487.98
IUPAC Name1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnn(-c3ncc(CF)cc3I)c2)cc1
InChIInChI=1S/C16H14FIN4O3S/c1-25-13-4-2-12(3-5-13)21-26(23,24)14-9-20-22(10-14)16-15(18)6-11(7-17)8-19-16/h2-6,8-10,21H,7H2,1H3
InChIKeyLGYZHPGAVKQFKT-UHFFFAOYSA-N
XLogP3.15
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688314
4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 4149169
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
1-(2-fluorophenyl)-N-(3-hydroxy-5-methoxyphenyl)pyrazole-4-sulfonamide
CID 100680192
N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 166234786
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175950
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 166198354
N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106059980

Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide (CID 70143150) is 1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cnn(-c3ncc(CF)cc3I)c2)cc1.
What is the InChIKey of 1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide?
The InChIKey is LGYZHPGAVKQFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIN4O3S/c1-25-13-4-2-12(3-5-13)21-26(23,24)14-9-20-22(10-14)16-15(18)6-11(7-17)8-19-16/h2-6,8-10,21H,7H2,1H3.
What are the key properties of 1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide?
1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide has a molecular weight of 488.28 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 70143150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).