1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine

C17H16FN3O3S — CID 2988588

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(-c2cn(S(=O)(=O)c3ccc(F)c(C)c3)nc2N)cc1
InChIInChI=1S/C17H16FN3O3S/c1-11-9-14(7-8-16(11)18)25(22,23)21-10-15(17(19)20-21)12-3-5-13(24-2)6-4-12/h3-10H,1-2H3,(H2,19,20)
InChIKeyCSOFHFNTDXVWHG-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.83
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine

1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine (PubChem CID 2988588) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
PubChem CID2988588
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(-c2cn(S(=O)(=O)c3ccc(F)c(C)c3)nc2N)cc1
InChIInChI=1S/C17H16FN3O3S/c1-11-9-14(7-8-16(11)18)25(22,23)21-10-15(17(19)20-21)12-3-5-13(24-2)6-4-12/h3-10H,1-2H3,(H2,19,20)
InChIKeyCSOFHFNTDXVWHG-UHFFFAOYSA-N
XLogP2.83
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine (CID 2988588) is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine is COc1ccc(-c2cn(S(=O)(=O)c3ccc(F)c(C)c3)nc2N)cc1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
The InChIKey is CSOFHFNTDXVWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-11-9-14(7-8-16(11)18)25(22,23)21-10-15(17(19)20-21)12-3-5-13(24-2)6-4-12/h3-10H,1-2H3,(H2,19,20).
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine has a molecular weight of 361.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine is sourced from PubChem (CID 2988588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).