5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide

C13H16BrN3O3S — CID 103908024

IUPAC5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H16BrN3O3S/c1-4-10-11(8-17(2)15-10)16-21(18,19)13-7-9(14)5-6-12(13)20-3/h5-8,16H,4H2,1-3H3
InChIKeyTXOANTABTGTSCY-UHFFFAOYSA-N
MW374.26 g/mol
LogP2.55
Rot. Bonds5

About 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide

5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide (PubChem CID 103908024) has the molecular formula C13H16BrN3O3S and a molecular weight of 374.26 g/mol. Its IUPAC name is 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
PubChem CID103908024
Molecular FormulaC13H16BrN3O3S
Molecular Weight374.26 g/mol
Exact Mass373.01
IUPAC Name5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H16BrN3O3S/c1-4-10-11(8-17(2)15-10)16-21(18,19)13-7-9(14)5-6-12(13)20-3/h5-8,16H,4H2,1-3H3
InChIKeyTXOANTABTGTSCY-UHFFFAOYSA-N
XLogP2.55
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 107462034
4-amino-2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462077
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
4-amino-2,6-dibromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462048
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol
CID 103909123
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 107462452
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
5-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 102803478
5-bromo-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 47158433

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide (CID 103908024) is 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide?
The InChIKey is TXOANTABTGTSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3S/c1-4-10-11(8-17(2)15-10)16-21(18,19)13-7-9(14)5-6-12(13)20-3/h5-8,16H,4H2,1-3H3.
What are the key properties of 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide?
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide has a molecular weight of 374.26 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 103908024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).