N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

C14H12F2N2O3S — CID 100668198

IUPACN-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(c1ncc(F)cc1F)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H12F2N2O3S/c1-18(14-12(16)7-10(15)8-17-14)22(19,20)11-2-3-13-9(6-11)4-5-21-13/h2-3,6-8H,4-5H2,1H3
InChIKeyNNJXFRMXDVCDSF-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.12
Rot. Bonds3

About N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 100668198) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID100668198
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC NameN-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(c1ncc(F)cc1F)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H12F2N2O3S/c1-18(14-12(16)7-10(15)8-17-14)22(19,20)11-2-3-13-9(6-11)4-5-21-13/h2-3,6-8H,4-5H2,1H3
InChIKeyNNJXFRMXDVCDSF-UHFFFAOYSA-N
XLogP2.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 100668198) is N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is CN(c1ncc(F)cc1F)S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is NNJXFRMXDVCDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c1-18(14-12(16)7-10(15)8-17-14)22(19,20)11-2-3-13-9(6-11)4-5-21-13/h2-3,6-8H,4-5H2,1H3.
What are the key properties of N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 326.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-2-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 100668198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).