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

C15H14FN3O3S — CID 53163425

IUPACN-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3ccn[nH]3)oc2C)cc1F
InChIInChI=1S/C15H14FN3O3S/c1-9-3-4-11(7-12(9)16)19-23(20,21)15-8-14(22-10(15)2)13-5-6-17-18-13/h3-8,19H,1-2H3,(H,17,18)
InChIKeyWXYVNCDNGSIGMM-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.23
Rot. Bonds4

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

N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (PubChem CID 53163425) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
PubChem CID53163425
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3ccn[nH]3)oc2C)cc1F
InChIInChI=1S/C15H14FN3O3S/c1-9-3-4-11(7-12(9)16)19-23(20,21)15-8-14(22-10(15)2)13-5-6-17-18-13/h3-8,19H,1-2H3,(H,17,18)
InChIKeyWXYVNCDNGSIGMM-UHFFFAOYSA-N
XLogP3.23
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163430
N-(3,4-dimethoxyphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163395
N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163440
N-(5-chloro-2-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163402
N-(3-chloro-2-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163413
N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163434
N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53173972
4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 110732433
6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092136
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (CID 53163425) is N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3ccn[nH]3)oc2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The InChIKey is WXYVNCDNGSIGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-9-3-4-11(7-12(9)16)19-23(20,21)15-8-14(22-10(15)2)13-5-6-17-18-13/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide has a molecular weight of 335.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 53163425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).