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

C16H13F2N3O2S — CID 2989319

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine
SMILESCc1cc(S(=O)(=O)n2cc(-c3cccc(F)c3)c(N)n2)ccc1F
InChIInChI=1S/C16H13F2N3O2S/c1-10-7-13(5-6-15(10)18)24(22,23)21-9-14(16(19)20-21)11-3-2-4-12(17)8-11/h2-9H,1H3,(H2,19,20)
InChIKeyKXTZGJRNWZWMBU-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.96
Rot. Bonds3

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

1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine (PubChem CID 2989319) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine
PubChem CID2989319
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine
SMILESCc1cc(S(=O)(=O)n2cc(-c3cccc(F)c3)c(N)n2)ccc1F
InChIInChI=1S/C16H13F2N3O2S/c1-10-7-13(5-6-15(10)18)24(22,23)21-9-14(16(19)20-21)11-3-2-4-12(17)8-11/h2-9H,1H3,(H2,19,20)
InChIKeyKXTZGJRNWZWMBU-UHFFFAOYSA-N
XLogP2.96
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
4-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
CID 1256527
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
CID 582055
3-Amino-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-4-carbonitrile
CID 172437274
1-(4-Fluoro-3-methylbenzenesulfonyl)-3-(3-fluorophenyl)-1H-pyrazol-5-amine
CID 20873605
1-(4-Bromophenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 2236864
N-tosyl-4-phenylpyrazole
CID 11254999
1-(Benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
CID 935662
1-(Benzenesulfonyl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 972834
1-(4-Fluorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
CID 1256523
4-(4-Fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
CID 1258072
4-(4-Chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine
CID 1265059

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine (CID 2989319) is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine is Cc1cc(S(=O)(=O)n2cc(-c3cccc(F)c3)c(N)n2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine?
The InChIKey is KXTZGJRNWZWMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c1-10-7-13(5-6-15(10)18)24(22,23)21-9-14(16(19)20-21)11-3-2-4-12(17)8-11/h2-9H,1H3,(H2,19,20).
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine?
1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine has a molecular weight of 349.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine is sourced from PubChem (CID 2989319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).