2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide

C13H12BrFN2O3S — CID 61059679

IUPAC2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ncccc1CNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H12BrFN2O3S/c1-20-13-9(3-2-6-16-13)8-17-21(18,19)12-5-4-10(15)7-11(12)14/h2-7,17H,8H2,1H3
InChIKeyHQEJRXHDFKQYAP-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.47
Rot. Bonds5

About 2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide

2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 61059679) has the molecular formula C13H12BrFN2O3S and a molecular weight of 375.22 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID61059679
Molecular FormulaC13H12BrFN2O3S
Molecular Weight375.22 g/mol
Exact Mass373.97
IUPAC Name2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ncccc1CNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H12BrFN2O3S/c1-20-13-9(3-2-6-16-13)8-17-21(18,19)12-5-4-10(15)7-11(12)14/h2-7,17H,8H2,1H3
InChIKeyHQEJRXHDFKQYAP-UHFFFAOYSA-N
XLogP2.47
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 63308971
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 55691601
2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60823464
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 35389490
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 39660154
2-bromo-4-fluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47264299
2-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61022422
5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 107591882
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
2-bromo-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide
CID 55870508
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 47305613

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide (CID 61059679) is 2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide is COc1ncccc1CNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is HQEJRXHDFKQYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3S/c1-20-13-9(3-2-6-16-13)8-17-21(18,19)12-5-4-10(15)7-11(12)14/h2-7,17H,8H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 375.22 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 61059679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).