3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C14H14F2N2O2S — CID 110757618

IUPAC3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2O2S/c1-18(9-6-11-4-7-17-8-5-11)21(19,20)12-2-3-13(15)14(16)10-12/h2-5,7-8,10H,6,9H2,1H3
InChIKeyOKJWNBRGZASBDB-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.22
Rot. Bonds5

About 3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 110757618) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID110757618
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2O2S/c1-18(9-6-11-4-7-17-8-5-11)21(19,20)12-2-3-13(15)14(16)10-12/h2-5,7-8,10H,6,9H2,1H3
InChIKeyOKJWNBRGZASBDB-UHFFFAOYSA-N
XLogP2.22
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757356
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 110759653
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757747
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
CID 110760413
4-chloro-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 47084790
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109065020
4-acetyl-N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 110648531
N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109059028
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993738
3-amino-5-fluoro-N,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116791517

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 110757618) is 3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is CN(CCc1ccncc1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is OKJWNBRGZASBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-18(9-6-11-4-7-17-8-5-11)21(19,20)12-2-3-13(15)14(16)10-12/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110757618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).