2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C13H12BrFN2O2S — CID 47257761

IUPAC2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H12BrFN2O2S/c1-17(9-11-4-2-3-7-16-11)20(18,19)13-6-5-10(15)8-12(13)14/h2-8H,9H2,1H3
InChIKeyYLUATZFKLKKKCT-UHFFFAOYSA-N
MW359.22 g/mol
LogP2.80
Rot. Bonds4

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

2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 47257761) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID47257761
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC Name2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H12BrFN2O2S/c1-17(9-11-4-2-3-7-16-11)20(18,19)13-6-5-10(15)8-12(13)14/h2-8H,9H2,1H3
InChIKeyYLUATZFKLKKKCT-UHFFFAOYSA-N
XLogP2.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564889
2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 52697144
2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304230
5-amino-2-chloro-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61113797
3-amino-2-bromo-5-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 62957761
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 52907215

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 47257761) is 2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CN(Cc1ccccn1)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is YLUATZFKLKKKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-17(9-11-4-2-3-7-16-11)20(18,19)13-6-5-10(15)8-12(13)14/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 359.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47257761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).