5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide

C9H16BrN3O3S — CID 167955994

IUPAC5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1cn[nH]c1Br
InChIInChI=1S/C9H16BrN3O3S/c1-7(2)16-5-4-13(3)17(14,15)8-6-11-12-9(8)10/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyIZPOJESGJBJLMK-UHFFFAOYSA-N
MW326.22 g/mol
LogP1.22
Rot. Bonds6

About 5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide

5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 167955994) has the molecular formula C9H16BrN3O3S and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
PubChem CID167955994
Molecular FormulaC9H16BrN3O3S
Molecular Weight326.22 g/mol
Exact Mass325.01
IUPAC Name5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1cn[nH]c1Br
InChIInChI=1S/C9H16BrN3O3S/c1-7(2)16-5-4-13(3)17(14,15)8-6-11-12-9(8)10/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyIZPOJESGJBJLMK-UHFFFAOYSA-N
XLogP1.22
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052656
5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067632
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106491946
5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 81068902
2-amino-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052971
4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053045
2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053835
2-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 81057979
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
2-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzoic acid
CID 81059803
4-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791714

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide (CID 167955994) is 5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide is CC(C)OCCN(C)S(=O)(=O)c1cn[nH]c1Br.
What is the InChIKey of 5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is IZPOJESGJBJLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O3S/c1-7(2)16-5-4-13(3)17(14,15)8-6-11-12-9(8)10/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide?
5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 326.22 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 167955994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).