2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide

C17H13F2N3O3S — CID 48628792

IUPAC2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide
SMILESCc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C17H13F2N3O3S/c1-11-10-12(25-17-20-8-3-9-21-17)6-7-15(11)22-26(23,24)16-13(18)4-2-5-14(16)19/h2-10,22H,1H3
InChIKeySHLHSMXOZUXHNM-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.66
Rot. Bonds5

About 2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide

2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide (PubChem CID 48628792) has the molecular formula C17H13F2N3O3S and a molecular weight of 377.37 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide
PubChem CID48628792
Molecular FormulaC17H13F2N3O3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC Name2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide
SMILESCc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C17H13F2N3O3S/c1-11-10-12(25-17-20-8-3-9-21-17)6-7-15(11)22-26(23,24)16-13(18)4-2-5-14(16)19/h2-10,22H,1H3
InChIKeySHLHSMXOZUXHNM-UHFFFAOYSA-N
XLogP3.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide (CID 48628792) is 2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide is Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is SHLHSMXOZUXHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S/c1-11-10-12(25-17-20-8-3-9-21-17)6-7-15(11)22-26(23,24)16-13(18)4-2-5-14(16)19/h2-10,22H,1H3.
What are the key properties of 2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide?
2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 377.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 48628792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).