N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide

C12H11BrFN3O2S — CID 107630794

IUPACN-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H11BrFN3O2S/c1-15-10-4-5-16-7-12(10)20(18,19)17-11-6-8(14)2-3-9(11)13/h2-7,17H,1H3,(H,15,16)
InChIKeyHSDXAFFDMVPOJX-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.83
Rot. Bonds4

About N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide

N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide (PubChem CID 107630794) has the molecular formula C12H11BrFN3O2S and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide
PubChem CID107630794
Molecular FormulaC12H11BrFN3O2S
Molecular Weight360.21 g/mol
Exact Mass358.97
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H11BrFN3O2S/c1-15-10-4-5-16-7-12(10)20(18,19)17-11-6-8(14)2-3-9(11)13/h2-7,17H,1H3,(H,15,16)
InChIKeyHSDXAFFDMVPOJX-UHFFFAOYSA-N
XLogP2.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-bromo-5-fluorophenyl)pyridine-3-sulfonamide
CID 107630755
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
N-(2-bromo-5-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 107625069
N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107810161
N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64917903
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
CID 113255256

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide (CID 107630794) is N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide is CNc1ccncc1S(=O)(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide?
The InChIKey is HSDXAFFDMVPOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2S/c1-15-10-4-5-16-7-12(10)20(18,19)17-11-6-8(14)2-3-9(11)13/h2-7,17H,1H3,(H,15,16).
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide?
N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide has a molecular weight of 360.21 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107630794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).