N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C12H15BrN4O2S — CID 43551023

IUPACN-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(Br)cc(N)c1NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H15BrN4O2S/c1-6-4-9(13)5-10(14)11(6)17-20(18,19)12-7(2)15-16-8(12)3/h4-5,17H,14H2,1-3H3,(H,15,16)
InChIKeyRPWSBEVMUJWSRQ-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.48
Rot. Bonds3

About N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43551023) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43551023
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(Br)cc(N)c1NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H15BrN4O2S/c1-6-4-9(13)5-10(14)11(6)17-20(18,19)12-7(2)15-16-8(12)3/h4-5,17H,14H2,1-3H3,(H,15,16)
InChIKeyRPWSBEVMUJWSRQ-UHFFFAOYSA-N
XLogP2.48
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-dibromophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43550690
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62084614
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 82708048
N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79049840
N-(3-amino-2-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113391851
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804604
N-(4-bromo-2-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61274832
3-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzamide
CID 107872220

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 43551023) is N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1cc(Br)cc(N)c1NS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RPWSBEVMUJWSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-6-4-9(13)5-10(14)11(6)17-20(18,19)12-7(2)15-16-8(12)3/h4-5,17H,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 359.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43551023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).