4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide

C14H14BrFN2O2S — CID 116528774

IUPAC4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN2O2S/c1-2-10-4-3-7-17-13(10)9-18-21(19,20)14-6-5-11(15)8-12(14)16/h3-8,18H,2,9H2,1H3
InChIKeyUDXWXLIOXVDVDC-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.02
Rot. Bonds5

About 4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide

4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 116528774) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide
PubChem CID116528774
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN2O2S/c1-2-10-4-3-7-17-13(10)9-18-21(19,20)14-6-5-11(15)8-12(14)16/h3-8,18H,2,9H2,1H3
InChIKeyUDXWXLIOXVDVDC-UHFFFAOYSA-N
XLogP3.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106543915
N-[(3-amino-2-methylphenyl)methyl]-4-bromo-2-fluorobenzenesulfonamide
CID 103110634
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295
4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 116528063
2-bromo-4-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 63308971
5-amino-4-bromo-2-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 116530328
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
N-[(3-aminophenyl)methyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527253
4-bromo-2-[(3-ethyl-2-pyridinyl)methylamino]benzoic acid
CID 114907475

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide (CID 116528774) is 4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide is CCc1cccnc1CNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is UDXWXLIOXVDVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c1-2-10-4-3-7-17-13(10)9-18-21(19,20)14-6-5-11(15)8-12(14)16/h3-8,18H,2,9H2,1H3.
What are the key properties of 4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide?
4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116528774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).