N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

C16H13F2N3O2S — CID 23209688

IUPACN-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)F)cc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13F2N3O2S/c17-16(18)14-11-15(12-7-3-1-4-8-12)21(19-14)20-24(22,23)13-9-5-2-6-10-13/h1-11,16,20H
InChIKeySUZMQCXHDYPGBB-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.42
Rot. Bonds5

About N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 23209688) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID23209688
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC NameN-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)F)cc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13F2N3O2S/c17-16(18)14-11-15(12-7-3-1-4-8-12)21(19-14)20-24(22,23)13-9-5-2-6-10-13/h1-11,16,20H
InChIKeySUZMQCXHDYPGBB-UHFFFAOYSA-N
XLogP3.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (CID 23209688) is N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(C(F)F)cc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is SUZMQCXHDYPGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c17-16(18)14-11-15(12-7-3-1-4-8-12)21(19-14)20-24(22,23)13-9-5-2-6-10-13/h1-11,16,20H.
What are the key properties of N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 349.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23209688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).