1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine

C15H11ClFN3O2S — CID 2989916

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccc(F)c(Cl)c2)cc1-c1ccccc1
InChIInChI=1S/C15H11ClFN3O2S/c16-13-8-11(6-7-14(13)17)23(21,22)20-9-12(15(18)19-20)10-4-2-1-3-5-10/h1-9H,(H2,18,19)
InChIKeyWOEMBNHVNRIION-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine

1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine (PubChem CID 2989916) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine
PubChem CID2989916
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccc(F)c(Cl)c2)cc1-c1ccccc1
InChIInChI=1S/C15H11ClFN3O2S/c16-13-8-11(6-7-14(13)17)23(21,22)20-9-12(15(18)19-20)10-4-2-1-3-5-10/h1-9H,(H2,18,19)
InChIKeyWOEMBNHVNRIION-UHFFFAOYSA-N
XLogP3.16
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
3-{3-amino-1-[(4-chlorophenyl)sulfonyl]-1H-pyrazol-4-yl}benzonitrile
CID 1259020
4-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
CID 1256527
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
1-(4-Chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine
CID 1299589
1-(4-Chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine
CID 1300177
4-(4-Chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrazol-3-amine
CID 2234371
1-(Benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine
CID 2986590

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine (CID 2989916) is 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine is Nc1nn(S(=O)(=O)c2ccc(F)c(Cl)c2)cc1-c1ccccc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine?
The InChIKey is WOEMBNHVNRIION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c16-13-8-11(6-7-14(13)17)23(21,22)20-9-12(15(18)19-20)10-4-2-1-3-5-10/h1-9H,(H2,18,19).
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine?
1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine has a molecular weight of 351.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-4-phenylpyrazol-3-amine is sourced from PubChem (CID 2989916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).