1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine

C15H11ClFN3O2S — CID 1300177

IUPAC1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C15H11ClFN3O2S/c16-11-3-7-13(8-4-11)23(21,22)20-9-14(15(18)19-20)10-1-5-12(17)6-2-10/h1-9H,(H2,18,19)
InChIKeyCIBWENKBRBWAGI-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.16
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine

1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine (PubChem CID 1300177) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine
PubChem CID1300177
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C15H11ClFN3O2S/c16-11-3-7-13(8-4-11)23(21,22)20-9-14(15(18)19-20)10-1-5-12(17)6-2-10/h1-9H,(H2,18,19)
InChIKeyCIBWENKBRBWAGI-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine (CID 1300177) is 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine is Nc1nn(S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine?
The InChIKey is CIBWENKBRBWAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c16-11-3-7-13(8-4-11)23(21,22)20-9-14(15(18)19-20)10-1-5-12(17)6-2-10/h1-9H,(H2,18,19).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine?
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-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-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)pyrazol-3-amine is sourced from PubChem (CID 1300177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).