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

C16H17N3O3S — CID 53163500

IUPAC2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)oc2C)c1
InChIInChI=1S/C16H17N3O3S/c1-10-5-4-6-13(7-10)19-23(20,21)16-9-15(22-12(16)3)14-8-11(2)17-18-14/h4-9,19H,1-3H3,(H,17,18)
InChIKeyTVWPLWAGQBXYNY-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.40
Rot. Bonds4

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

2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide (PubChem CID 53163500) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
PubChem CID53163500
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)oc2C)c1
InChIInChI=1S/C16H17N3O3S/c1-10-5-4-6-13(7-10)19-23(20,21)16-9-15(22-12(16)3)14-8-11(2)17-18-14/h4-9,19H,1-3H3,(H,17,18)
InChIKeyTVWPLWAGQBXYNY-UHFFFAOYSA-N
XLogP3.40
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]acetamide
CID 53163484
N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329425
N-(4-bromo-3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329422
N-(3-chlorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292481
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 110732544
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163430
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163425
2-bromo-N-(3-tert-butylphenyl)-4-methylbenzenesulfonamide
CID 90068343
N-(3,4-dimethoxyphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide (CID 53163500) is 2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)oc2C)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
The InChIKey is TVWPLWAGQBXYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-5-4-6-13(7-10)19-23(20,21)16-9-15(22-12(16)3)14-8-11(2)17-18-14/h4-9,19H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide is sourced from PubChem (CID 53163500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).