N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H9BrN4O4S — CID 61275206

IUPACN-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9BrN4O4S/c1-6-10(5-12-13-6)20(18,19)14-8-3-2-7(11)4-9(8)15(16)17/h2-5,14H,1H3,(H,12,13)
InChIKeyOFODRAWAMPNDAA-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.19
Rot. Bonds4

About N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61275206) has the molecular formula C10H9BrN4O4S and a molecular weight of 361.18 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61275206
Molecular FormulaC10H9BrN4O4S
Molecular Weight361.18 g/mol
Exact Mass359.95
IUPAC NameN-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9BrN4O4S/c1-6-10(5-12-13-6)20(18,19)14-8-3-2-7(11)4-9(8)15(16)17/h2-5,14H,1H3,(H,12,13)
InChIKeyOFODRAWAMPNDAA-UHFFFAOYSA-N
XLogP2.19
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275948
N-(4-bromo-2-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61274832
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275984
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81313064
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61274012
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704
5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide
CID 61392311
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929854

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 61275206) is N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OFODRAWAMPNDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O4S/c1-6-10(5-12-13-6)20(18,19)14-8-3-2-7(11)4-9(8)15(16)17/h2-5,14H,1H3,(H,12,13).
What are the key properties of N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 361.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).