5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide

C16H17N3O4S — CID 53075747

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)cc1
InChIInChI=1S/C16H17N3O4S/c1-10-11(2)17-18-16(10)14-8-9-15(23-14)24(20,21)19-12-4-6-13(22-3)7-5-12/h4-9,19H,1-3H3,(H,17,18)
InChIKeyRTYAGYVSKGRVGK-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.10
Rot. Bonds5

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide (PubChem CID 53075747) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide
PubChem CID53075747
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)cc1
InChIInChI=1S/C16H17N3O4S/c1-10-11(2)17-18-16(10)14-8-9-15(23-14)24(20,21)19-12-4-6-13(22-3)7-5-12/h4-9,19H,1-3H3,(H,17,18)
InChIKeyRTYAGYVSKGRVGK-UHFFFAOYSA-N
XLogP3.10
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide (CID 53075747) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)cc1.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide?
The InChIKey is RTYAGYVSKGRVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10-11(2)17-18-16(10)14-8-9-15(23-14)24(20,21)19-12-4-6-13(22-3)7-5-12/h4-9,19H,1-3H3,(H,17,18).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide is sourced from PubChem (CID 53075747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).