N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide

C13H16BrN3O2S — CID 22774656

IUPACN-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(Br)cc2C)c(C)n1
InChIInChI=1S/C13H16BrN3O2S/c1-4-17-8-13(10(3)15-17)20(18,19)16-12-6-5-11(14)7-9(12)2/h5-8,16H,4H2,1-3H3
InChIKeyVFFKKHQQWOCFSB-UHFFFAOYSA-N
MW358.26 g/mol
LogP3.08
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide

N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide (PubChem CID 22774656) has the molecular formula C13H16BrN3O2S and a molecular weight of 358.26 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
PubChem CID22774656
Molecular FormulaC13H16BrN3O2S
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC NameN-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(Br)cc2C)c(C)n1
InChIInChI=1S/C13H16BrN3O2S/c1-4-17-8-13(10(3)15-17)20(18,19)16-12-6-5-11(14)7-9(12)2/h5-8,16H,4H2,1-3H3
InChIKeyVFFKKHQQWOCFSB-UHFFFAOYSA-N
XLogP3.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773985
1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282799
1-ethyl-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-sulfonamide
CID 22774154
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774427
N-(2-butylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774401
N-(3,4-difluorophenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773467
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide (CID 22774656) is N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(Br)cc2C)c(C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is VFFKKHQQWOCFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S/c1-4-17-8-13(10(3)15-17)20(18,19)16-12-6-5-11(14)7-9(12)2/h5-8,16H,4H2,1-3H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 358.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22774656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).