5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide

C12H15BrN4O3S — CID 81396831

IUPAC5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(N)c(Br)cc2OC)cn1
InChIInChI=1S/C12H15BrN4O3S/c1-3-17-7-8(6-15-17)16-21(18,19)12-5-10(14)9(13)4-11(12)20-2/h4-7,16H,3,14H2,1-2H3
InChIKeyJOZPDIOXUIESMW-UHFFFAOYSA-N
MW375.25 g/mol
LogP2.06
Rot. Bonds5

About 5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide

5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide (PubChem CID 81396831) has the molecular formula C12H15BrN4O3S and a molecular weight of 375.25 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
PubChem CID81396831
Molecular FormulaC12H15BrN4O3S
Molecular Weight375.25 g/mol
Exact Mass374.00
IUPAC Name5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(N)c(Br)cc2OC)cn1
InChIInChI=1S/C12H15BrN4O3S/c1-3-17-7-8(6-15-17)16-21(18,19)12-5-10(14)9(13)4-11(12)20-2/h4-7,16H,3,14H2,1-2H3
InChIKeyJOZPDIOXUIESMW-UHFFFAOYSA-N
XLogP2.06
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491419
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 81397536
5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79896455
5-amino-4-bromo-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 81396960
ethyl 3-bromo-4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoate
CID 39836984
5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
CID 81397943
5-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 102803478
5-bromo-2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 60779710
5-amino-4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzenesulfonamide
CID 107641445
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide (CID 81396831) is 5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide is CCn1cc(NS(=O)(=O)c2cc(N)c(Br)cc2OC)cn1.
What is the InChIKey of 5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide?
The InChIKey is JOZPDIOXUIESMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O3S/c1-3-17-7-8(6-15-17)16-21(18,19)12-5-10(14)9(13)4-11(12)20-2/h4-7,16H,3,14H2,1-2H3.
What are the key properties of 5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide?
5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide has a molecular weight of 375.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 81396831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).