2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide

C11H14BrN5O3S — CID 62153432

IUPAC2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide
SMILESCOCCn1cc(NS(=O)(=O)c2cc(Br)cnc2N)cn1
InChIInChI=1S/C11H14BrN5O3S/c1-20-3-2-17-7-9(6-15-17)16-21(18,19)10-4-8(12)5-14-11(10)13/h4-7,16H,2-3H2,1H3,(H2,13,14)
InChIKeyMGBIWRDFPBTPGF-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.07
Rot. Bonds6

About 2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide (PubChem CID 62153432) has the molecular formula C11H14BrN5O3S and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide
PubChem CID62153432
Molecular FormulaC11H14BrN5O3S
Molecular Weight376.24 g/mol
Exact Mass375.00
IUPAC Name2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide
SMILESCOCCn1cc(NS(=O)(=O)c2cc(Br)cnc2N)cn1
InChIInChI=1S/C11H14BrN5O3S/c1-20-3-2-17-7-9(6-15-17)16-21(18,19)10-4-8(12)5-14-11(10)13/h4-7,16H,2-3H2,1H3,(H2,13,14)
InChIKeyMGBIWRDFPBTPGF-UHFFFAOYSA-N
XLogP1.07
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 60779710
1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide
CID 63664953
3-hydrazinyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-2-sulfonamide
CID 103301171
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide
CID 154838624
2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62813648
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
2-amino-5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 107603212
5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 81396831
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide (CID 62153432) is 2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide is COCCn1cc(NS(=O)(=O)c2cc(Br)cnc2N)cn1.
What is the InChIKey of 2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide?
The InChIKey is MGBIWRDFPBTPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O3S/c1-20-3-2-17-7-9(6-15-17)16-21(18,19)10-4-8(12)5-14-11(10)13/h4-7,16H,2-3H2,1H3,(H2,13,14).
What are the key properties of 2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide has a molecular weight of 376.24 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 62153432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).