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

C16H17N3O3S — CID 46329421

IUPACN-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)o2)c1
InChIInChI=1S/C16H17N3O3S/c1-10-6-11(2)8-13(7-10)19-23(20,21)16-5-4-15(22-16)14-9-12(3)17-18-14/h4-9,19H,1-3H3,(H,17,18)
InChIKeyUEZAPWTYXPXXMT-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.40
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide (PubChem CID 46329421) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
PubChem CID46329421
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)o2)c1
InChIInChI=1S/C16H17N3O3S/c1-10-6-11(2)8-13(7-10)19-23(20,21)16-5-4-15(22-16)14-9-12(3)17-18-14/h4-9,19H,1-3H3,(H,17,18)
InChIKeyUEZAPWTYXPXXMT-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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide (CID 46329421) is N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)o2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The InChIKey is UEZAPWTYXPXXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-6-11(2)8-13(7-10)19-23(20,21)16-5-4-15(22-16)14-9-12(3)17-18-14/h4-9,19H,1-3H3,(H,17,18).
What are the key properties of N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-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 N-(3,5-dimethylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 46329421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).