5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide

C15H17N3O4S — CID 53075755

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)o1
InChIInChI=1S/C15H17N3O4S/c1-9-4-5-12(21-9)8-16-23(19,20)14-7-6-13(22-14)15-10(2)11(3)17-18-15/h4-7,16H,8H2,1-3H3,(H,17,18)
InChIKeyTXZIGKGLWJTQFQ-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.67
Rot. Bonds5

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide (PubChem CID 53075755) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide
PubChem CID53075755
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)o1
InChIInChI=1S/C15H17N3O4S/c1-9-4-5-12(21-9)8-16-23(19,20)14-7-6-13(22-14)15-10(2)11(3)17-18-15/h4-7,16H,8H2,1-3H3,(H,17,18)
InChIKeyTXZIGKGLWJTQFQ-UHFFFAOYSA-N
XLogP2.67
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.67
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-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide (CID 53075755) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)o1.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide?
The InChIKey is TXZIGKGLWJTQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9-4-5-12(21-9)8-16-23(19,20)14-7-6-13(22-14)15-10(2)11(3)17-18-15/h4-7,16H,8H2,1-3H3,(H,17,18).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 2.67, 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-[(5-methylfuran-2-yl)methyl]furan-2-sulfonamide is sourced from PubChem (CID 53075755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).