N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide

C15H14BrN3O3S — CID 46329422

IUPACN-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)o2)n[nH]1
InChIInChI=1S/C15H14BrN3O3S/c1-9-7-11(3-4-12(9)16)19-23(20,21)15-6-5-14(22-15)13-8-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18)
InChIKeyPJKRONNDROZETI-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.85
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide

N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide (PubChem CID 46329422) has the molecular formula C15H14BrN3O3S and a molecular weight of 396.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
PubChem CID46329422
Molecular FormulaC15H14BrN3O3S
Molecular Weight396.27 g/mol
Exact Mass394.99
IUPAC NameN-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)o2)n[nH]1
InChIInChI=1S/C15H14BrN3O3S/c1-9-7-11(3-4-12(9)16)19-23(20,21)15-6-5-14(22-15)13-8-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18)
InChIKeyPJKRONNDROZETI-UHFFFAOYSA-N
XLogP3.85
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-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-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329425
N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927054
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106058597
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
CID 53163500
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79884838
N-[4-[[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]acetamide
CID 53163484
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732614

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide (CID 46329422) is N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)o2)n[nH]1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The InChIKey is PJKRONNDROZETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3S/c1-9-7-11(3-4-12(9)16)19-23(20,21)15-6-5-14(22-15)13-8-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide has a molecular weight of 396.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 46329422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).