N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide

C13H13BrFN3O2S — CID 106020720

IUPACN-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(F)c1
InChIInChI=1S/C13H13BrFN3O2S/c1-16-7-9-2-4-12(11(15)6-9)21(19,20)18-13-5-3-10(14)8-17-13/h2-6,8,16H,7H2,1H3,(H,17,18)
InChIKeyQWGYJVOEKAZGBI-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.50
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide

N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 106020720) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
PubChem CID106020720
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC NameN-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(F)c1
InChIInChI=1S/C13H13BrFN3O2S/c1-16-7-9-2-4-12(11(15)6-9)21(19,20)18-13-5-3-10(14)8-17-13/h2-6,8,16H,7H2,1H3,(H,17,18)
InChIKeyQWGYJVOEKAZGBI-UHFFFAOYSA-N
XLogP2.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088068
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide
CID 176736990
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106054763
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide (CID 106020720) is N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(F)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is QWGYJVOEKAZGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-16-7-9-2-4-12(11(15)6-9)21(19,20)18-13-5-3-10(14)8-17-13/h2-6,8,16H,7H2,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide?
N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 374.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106020720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).