(3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone

C15H15ClF2N4O3S — CID 19614798

IUPAC(3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C15H15ClF2N4O3S/c16-12-3-1-2-11(8-12)14(23)20-4-6-21(7-5-20)26(24,25)13-9-19-22(10-13)15(17)18/h1-3,8-10,15H,4-7H2
InChIKeyGGFAGYVTJKQWNO-UHFFFAOYSA-N
MW404.83 g/mol
LogP2.08
Rot. Bonds4

About (3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone

(3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone (PubChem CID 19614798) has the molecular formula C15H15ClF2N4O3S and a molecular weight of 404.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone
PubChem CID19614798
Molecular FormulaC15H15ClF2N4O3S
Molecular Weight404.83 g/mol
Exact Mass404.05
IUPAC Name(3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C15H15ClF2N4O3S/c16-12-3-1-2-11(8-12)14(23)20-4-6-21(7-5-20)26(24,25)13-9-19-22(10-13)15(17)18/h1-3,8-10,15H,4-7H2
InChIKeyGGFAGYVTJKQWNO-UHFFFAOYSA-N
XLogP2.08
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.83
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone (CID 19614798) is (3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cnn(C(F)F)c2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is GGFAGYVTJKQWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N4O3S/c16-12-3-1-2-11(8-12)14(23)20-4-6-21(7-5-20)26(24,25)13-9-19-22(10-13)15(17)18/h1-3,8-10,15H,4-7H2.
What are the key properties of (3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone?
(3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 404.83 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[1-(difluoromethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 19614798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).