2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide

C17H15F2N3O2S — CID 119102967

IUPAC2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1cc(-c2ccccc2)cn1)c1c(F)cccc1F
InChIInChI=1S/C17H15F2N3O2S/c18-15-7-4-8-16(19)17(15)25(23,24)21-9-10-22-12-14(11-20-22)13-5-2-1-3-6-13/h1-8,11-12,21H,9-10H2
InChIKeyBERRIBMOGSDOBL-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.81
Rot. Bonds6

About 2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide

2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 119102967) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID119102967
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1cc(-c2ccccc2)cn1)c1c(F)cccc1F
InChIInChI=1S/C17H15F2N3O2S/c18-15-7-4-8-16(19)17(15)25(23,24)21-9-10-22-12-14(11-20-22)13-5-2-1-3-6-13/h1-8,11-12,21H,9-10H2
InChIKeyBERRIBMOGSDOBL-UHFFFAOYSA-N
XLogP2.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
CID 62770833
N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide
CID 118524294
N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62771315
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
1-(3-methylsulfonylpropyl)-4-phenylpyrazole
CID 23594763
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143
N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide
CID 118060438
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122244881
3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 164608398
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122244863

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 119102967) is 2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCn1cc(-c2ccccc2)cn1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is BERRIBMOGSDOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c18-15-7-4-8-16(19)17(15)25(23,24)21-9-10-22-12-14(11-20-22)13-5-2-1-3-6-13/h1-8,11-12,21H,9-10H2.
What are the key properties of 2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide?
2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 363.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 119102967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).