N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide

C14H14F2N2O3S — CID 167880342

IUPACN-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide
SMILESCCOc1cccnc1NS(=O)(=O)c1ccc(C)c(F)c1F
InChIInChI=1S/C14H14F2N2O3S/c1-3-21-10-5-4-8-17-14(10)18-22(19,20)11-7-6-9(2)12(15)13(11)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyXHTMWHMCHBBZKB-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.87
Rot. Bonds5

About N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide

N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide (PubChem CID 167880342) has the molecular formula C14H14F2N2O3S and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide
PubChem CID167880342
Molecular FormulaC14H14F2N2O3S
Molecular Weight328.34 g/mol
Exact Mass328.07
IUPAC NameN-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide
SMILESCCOc1cccnc1NS(=O)(=O)c1ccc(C)c(F)c1F
InChIInChI=1S/C14H14F2N2O3S/c1-3-21-10-5-4-8-17-14(10)18-22(19,20)11-7-6-9(2)12(15)13(11)16/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyXHTMWHMCHBBZKB-UHFFFAOYSA-N
XLogP2.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide (CID 167880342) is N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide is CCOc1cccnc1NS(=O)(=O)c1ccc(C)c(F)c1F.
What is the InChIKey of N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide?
The InChIKey is XHTMWHMCHBBZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3S/c1-3-21-10-5-4-8-17-14(10)18-22(19,20)11-7-6-9(2)12(15)13(11)16/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide?
N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide has a molecular weight of 328.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-pyridinyl)-2,3-difluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 167880342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).