5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile

C10H5F2N3O2S — CID 151170672

IUPAC5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1S(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C10H5F2N3O2S/c11-7-2-1-3-8(9(7)12)18(16,17)10-6(4-13)5-14-15-10/h1-3,5H,(H,14,15)
InChIKeyNCEXTMIBDNZQRL-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.39
Rot. Bonds2

About 5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile

5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile (PubChem CID 151170672) has the molecular formula C10H5F2N3O2S and a molecular weight of 269.23 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile
PubChem CID151170672
Molecular FormulaC10H5F2N3O2S
Molecular Weight269.23 g/mol
Exact Mass269.01
IUPAC Name5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1S(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C10H5F2N3O2S/c11-7-2-1-3-8(9(7)12)18(16,17)10-6(4-13)5-14-15-10/h1-3,5H,(H,14,15)
InChIKeyNCEXTMIBDNZQRL-UHFFFAOYSA-N
XLogP1.39
TPSA86.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile (CID 151170672) is 5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile is N#Cc1cn[nH]c1S(=O)(=O)c1cccc(F)c1F.
What is the InChIKey of 5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile?
The InChIKey is NCEXTMIBDNZQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N3O2S/c11-7-2-1-3-8(9(7)12)18(16,17)10-6(4-13)5-14-15-10/h1-3,5H,(H,14,15).
What are the key properties of 5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile?
5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile has a molecular weight of 269.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)sulfonyl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 151170672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).