2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide

C15H11F2N3O2S — CID 60532169

IUPAC2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cccn1)c1c(F)cccc1F
InChIInChI=1S/C15H11F2N3O2S/c16-11-5-3-6-12(17)15(11)23(21,22)19-13-7-1-2-8-14(13)20-10-4-9-18-20/h1-10,19H
InChIKeyGPSQCQRTSQHAAZ-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.95
Rot. Bonds4

About 2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide

2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide (PubChem CID 60532169) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
PubChem CID60532169
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cccn1)c1c(F)cccc1F
InChIInChI=1S/C15H11F2N3O2S/c16-11-5-3-6-12(17)15(11)23(21,22)19-13-7-1-2-8-14(13)20-10-4-9-18-20/h1-10,19H
InChIKeyGPSQCQRTSQHAAZ-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 47062887
N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55895716
4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532143
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231
2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55895336
3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide
CID 166369498
2-fluoro-6-pyrazol-1-ylaniline
CID 50989643
N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 137429571
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606132
N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide
CID 67655199
3,5-dichloro-N-(2-fluoro-6-pyrazol-1-ylphenyl)-2-hydroxybenzenesulfonamide
CID 146600944
2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 134093089

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide (CID 60532169) is 2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1-n1cccn1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is GPSQCQRTSQHAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c16-11-5-3-6-12(17)15(11)23(21,22)19-13-7-1-2-8-14(13)20-10-4-9-18-20/h1-10,19H.
What are the key properties of 2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 335.34 g/mol, XLogP of 2.95, 4 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-pyrazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 60532169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).