3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen

C14H18F2N2O2S — CID 177349304

IUPAC3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen
SMILESCC.Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)nc1.[H][H]
InChIInChI=1S/C12H10F2N2O2S.C2H6.H2/c1-8-2-3-12(15-7-8)16-19(17,18)11-5-9(13)4-10(14)6-11;1-2;/h2-7H,1H3,(H,15,16);1-2H3;1H
InChIKeyZWDUTCWIWYOUGQ-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.74
Rot. Bonds3

About 3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen

3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen (PubChem CID 177349304) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is 3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen
PubChem CID177349304
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC Name3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen
SMILESCC.Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)nc1.[H][H]
InChIInChI=1S/C12H10F2N2O2S.C2H6.H2/c1-8-2-3-12(15-7-8)16-19(17,18)11-5-9(13)4-10(14)6-11;1-2;/h2-7H,1H3,(H,15,16);1-2H3;1H
InChIKeyZWDUTCWIWYOUGQ-UHFFFAOYSA-N
XLogP3.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
4-(bromomethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 65481784
2-(methylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150825
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 29054363
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
CID 110454365
2-(ethylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150826
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
CID 115421691
3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen?
The IUPAC name of 3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen (CID 177349304) is 3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen.
What is the SMILES notation for 3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen?
The canonical SMILES for 3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen is CC.Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)nc1.[H][H].
What is the InChIKey of 3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen?
The InChIKey is ZWDUTCWIWYOUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S.C2H6.H2/c1-8-2-3-12(15-7-8)16-19(17,18)11-5-9(13)4-10(14)6-11;1-2;/h2-7H,1H3,(H,15,16);1-2H3;1H.
What are the key properties of 3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen?
3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen has a molecular weight of 316.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide;ethane;molecular hydrogen is sourced from PubChem (CID 177349304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).