N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide

C14H12BrN3O3S — CID 46329425

IUPACN-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3cccc(Br)c3)o2)n[nH]1
InChIInChI=1S/C14H12BrN3O3S/c1-9-7-12(17-16-9)13-5-6-14(21-13)22(19,20)18-11-4-2-3-10(15)8-11/h2-8,18H,1H3,(H,16,17)
InChIKeyMALUZUXIRFARNX-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.54
Rot. Bonds4

About N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide

N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide (PubChem CID 46329425) has the molecular formula C14H12BrN3O3S and a molecular weight of 382.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
PubChem CID46329425
Molecular FormulaC14H12BrN3O3S
Molecular Weight382.24 g/mol
Exact Mass380.98
IUPAC NameN-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3cccc(Br)c3)o2)n[nH]1
InChIInChI=1S/C14H12BrN3O3S/c1-9-7-12(17-16-9)13-5-6-14(21-13)22(19,20)18-11-4-2-3-10(15)8-11/h2-8,18H,1H3,(H,16,17)
InChIKeyMALUZUXIRFARNX-UHFFFAOYSA-N
XLogP3.54
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329422
2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
CID 53163500
N-(3,4-dimethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927054
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methylphenyl)furan-2-sulfonamide
CID 53175564
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 110732544
N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175513
N-(4-bromo-2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927031
N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328569
N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085812
5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-ethylphenyl)furan-2-sulfonamide
CID 53175456
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The IUPAC name of N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide (CID 46329425) is N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(Br)c3)o2)n[nH]1.
What is the InChIKey of N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The InChIKey is MALUZUXIRFARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3S/c1-9-7-12(17-16-9)13-5-6-14(21-13)22(19,20)18-11-4-2-3-10(15)8-11/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide has a molecular weight of 382.24 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 46329425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).