3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide

C12H15BrN4O2S — CID 60808613

IUPAC3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H15BrN4O2S/c1-7-4-9(13)5-8(2)11(7)16-20(18,19)10-6-17(3)15-12(10)14/h4-6,16H,1-3H3,(H2,14,15)
InChIKeyDXDVPODSCMRFKK-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 60808613) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID60808613
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC Name3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H15BrN4O2S/c1-7-4-9(13)5-8(2)11(7)16-20(18,19)10-6-17(3)15-12(10)14/h4-6,16H,1-3H3,(H2,14,15)
InChIKeyDXDVPODSCMRFKK-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

3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230
3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 55201167
3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60810406
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 60808760
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 60809582
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 104616984
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide (CID 60808613) is 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide is Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is DXDVPODSCMRFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-7-4-9(13)5-8(2)11(7)16-20(18,19)10-6-17(3)15-12(10)14/h4-6,16H,1-3H3,(H2,14,15).
What are the key properties of 3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-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-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60808613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).