3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide

C12H15BrN4O2S — CID 105358087

IUPAC3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(N)nn(C)c2C)c(Br)c1
InChIInChI=1S/C12H15BrN4O2S/c1-7-4-5-10(9(13)6-7)16-20(18,19)11-8(2)17(3)15-12(11)14/h4-6,16H,1-3H3,(H2,14,15)
InChIKeyXIVWYNGGXKMBNR-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358087) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358087
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC Name3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(N)nn(C)c2C)c(Br)c1
InChIInChI=1S/C12H15BrN4O2S/c1-7-4-5-10(9(13)6-7)16-20(18,19)11-8(2)17(3)15-12(11)14/h4-6,16H,1-3H3,(H2,14,15)
InChIKeyXIVWYNGGXKMBNR-UHFFFAOYSA-N
XLogP2.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62064019
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
3-amino-N-(2-bromo-3-chlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 103477293
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359094
3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773989
3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359179
N-(2-amino-6-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 116813776
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105358087) is 3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(N)nn(C)c2C)c(Br)c1.
What is the InChIKey of 3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is XIVWYNGGXKMBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-7-4-5-10(9(13)6-7)16-20(18,19)11-8(2)17(3)15-12(11)14/h4-6,16H,1-3H3,(H2,14,15).
What are the key properties of 3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 359.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).