3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine

C15H10ClF2N3O2S — CID 2738835

IUPAC3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10ClF2N3O2S/c16-10-3-1-9(2-4-10)14-8-15(19)21(20-14)24(22,23)11-5-6-12(17)13(18)7-11/h1-8H,19H2
InChIKeyZRYLGPPKQGVMBH-UHFFFAOYSA-N
MW369.78 g/mol
LogP3.30
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine

3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine (PubChem CID 2738835) has the molecular formula C15H10ClF2N3O2S and a molecular weight of 369.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine
PubChem CID2738835
Molecular FormulaC15H10ClF2N3O2S
Molecular Weight369.78 g/mol
Exact Mass369.02
IUPAC Name3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10ClF2N3O2S/c16-10-3-1-9(2-4-10)14-8-15(19)21(20-14)24(22,23)11-5-6-12(17)13(18)7-11/h1-8H,19H2
InChIKeyZRYLGPPKQGVMBH-UHFFFAOYSA-N
XLogP3.30
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2813989
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CID 4612397
CID 4612397
CID 6619811
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CID 2813992
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CID 2818970
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CID 16654628
CID 16654628
CID 20867090
CID 20867090
CID 20873602
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CID 20873603
CID 20873603

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine (CID 2738835) is 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine is Nc1cc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine?
The InChIKey is ZRYLGPPKQGVMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O2S/c16-10-3-1-9(2-4-10)14-8-15(19)21(20-14)24(22,23)11-5-6-12(17)13(18)7-11/h1-8H,19H2.
What are the key properties of 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine?
3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine has a molecular weight of 369.78 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3,4-difluorophenyl)sulfonylpyrazol-5-amine is sourced from PubChem (CID 2738835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).