N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide

C10H10Br2N4O2S — CID 104709412

IUPACN-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C10H10Br2N4O2S/c1-16-9(2-3-14-16)19(17,18)15-10-7(12)4-6(11)5-8(10)13/h2-5,15H,13H2,1H3
InChIKeyUIRMHJJIBFHOOG-UHFFFAOYSA-N
MW410.09 g/mol
LogP2.33
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide

N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104709412) has the molecular formula C10H10Br2N4O2S and a molecular weight of 410.09 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide
PubChem CID104709412
Molecular FormulaC10H10Br2N4O2S
Molecular Weight410.09 g/mol
Exact Mass407.89
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C10H10Br2N4O2S/c1-16-9(2-3-14-16)19(17,18)15-10-7(12)4-6(11)5-8(10)13/h2-5,15H,13H2,1H3
InChIKeyUIRMHJJIBFHOOG-UHFFFAOYSA-N
XLogP2.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.09
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dibromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304710
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrazole-3-sulfonamide
CID 104709410
N-(2-amino-4,6-dibromophenyl)methanesulfonamide
CID 43550705
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
N-(2-amino-4,6-dibromophenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063485
N-(3-bromo-4-ethynylphenyl)-2-methylpyrazole-3-sulfonamide
CID 167962384
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
CID 43550660
N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
CID 43550659
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
N-(2-amino-4,6-dibromophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43550690
N-(2-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide
CID 113443991

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide (CID 104709412) is N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)Nc1c(N)cc(Br)cc1Br.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is UIRMHJJIBFHOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4O2S/c1-16-9(2-3-14-16)19(17,18)15-10-7(12)4-6(11)5-8(10)13/h2-5,15H,13H2,1H3.
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide?
N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 410.09 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).