4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C13H12ClFN2O2S — CID 47103942

IUPAC4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H12ClFN2O2S/c1-17(9-10-3-2-6-16-8-10)20(18,19)13-5-4-11(14)7-12(13)15/h2-8H,9H2,1H3
InChIKeyYSDXPJHMFDCWBK-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.69
Rot. Bonds4

About 4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 47103942) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID47103942
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H12ClFN2O2S/c1-17(9-10-3-2-6-16-8-10)20(18,19)13-5-4-11(14)7-12(13)15/h2-8H,9H2,1H3
InChIKeyYSDXPJHMFDCWBK-UHFFFAOYSA-N
XLogP2.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 116528118
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79178544
5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563355
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
4-bromo-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103697191
2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563351
4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134018087
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N,2-dimethyl-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86984238
N-benzyl-4-(chloromethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 79180404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 47103942) is 4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is YSDXPJHMFDCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-17(9-10-3-2-6-16-8-10)20(18,19)13-5-4-11(14)7-12(13)15/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47103942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).