2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

C16H13F2N3O2S — CID 22205165

IUPAC2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3O2S/c17-13-4-7-15(18)16(10-13)24(22,23)20-11-12-2-5-14(6-3-12)21-9-1-8-19-21/h1-10,20H,11H2
InChIKeyNHHZKRTZOSCNFJ-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.63
Rot. Bonds5

About 2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 22205165) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID22205165
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3O2S/c17-13-4-7-15(18)16(10-13)24(22,23)20-11-12-2-5-14(6-3-12)21-9-1-8-19-21/h1-10,20H,11H2
InChIKeyNHHZKRTZOSCNFJ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
7-fluoro-2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55905577
4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205191
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
2-bromo-5-fluoro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 107632988
N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
CID 22205170
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386078
(4-pyrazol-1-ylphenyl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 33075168
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
2,5-difluoro-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide
CID 90569769
2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207747

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide (CID 22205165) is 2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is NHHZKRTZOSCNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c17-13-4-7-15(18)16(10-13)24(22,23)20-11-12-2-5-14(6-3-12)21-9-1-8-19-21/h1-10,20H,11H2.
What are the key properties of 2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 349.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 22205165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).