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

C14H14BrFN2O2S — CID 116528266

IUPAC4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-4-3-12(15)9-13(14)16/h3-9H,2,10H2,1H3
InChIKeyDGPJKBLYCVEFBR-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.19
Rot. Bonds5

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

4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 116528266) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID116528266
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-4-3-12(15)9-13(14)16/h3-9H,2,10H2,1H3
InChIKeyDGPJKBLYCVEFBR-UHFFFAOYSA-N
XLogP3.19
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950
2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 23988205
4-bromo-N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528768
5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
CID 110760985
4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102995921
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881
4-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 116527494
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 116528118
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 61139761
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
4-(aminomethyl)-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 79179205

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 116528266) is 4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCN(Cc1ccncc1)S(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is DGPJKBLYCVEFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-4-3-12(15)9-13(14)16/h3-9H,2,10H2,1H3.
What are the key properties of 4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 116528266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).