2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide

C13H13BrFN3O2S — CID 62158319

IUPAC2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H13BrFN3O2S/c1-18(8-9-4-2-3-5-11(9)15)21(19,20)12-6-10(14)7-17-13(12)16/h2-7H,8H2,1H3,(H2,16,17)
InChIKeySOORDMRRQZPFNU-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide

2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 62158319) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID62158319
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC Name2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H13BrFN3O2S/c1-18(8-9-4-2-3-5-11(9)15)21(19,20)12-6-10(14)7-17-13(12)16/h2-7H,8H2,1H3,(H2,16,17)
InChIKeySOORDMRRQZPFNU-UHFFFAOYSA-N
XLogP2.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61060274
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 22516457
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
4-bromo-2,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 30329132
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 6623835
2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62147803
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide
CID 43458468
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62156932
2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153874

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide (CID 62158319) is 2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide is CN(Cc1ccccc1F)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is SOORDMRRQZPFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-18(8-9-4-2-3-5-11(9)15)21(19,20)12-6-10(14)7-17-13(12)16/h2-7H,8H2,1H3,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide?
2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 374.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 62158319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).