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

C14H19N3O4S — CID 75400905

IUPAC2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C3CCOCC3)[nH]n2)c(C)o1
InChIInChI=1S/C14H19N3O4S/c1-9-7-13(10(2)21-9)22(18,19)17-14-8-12(15-16-14)11-3-5-20-6-4-11/h7-8,11H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyNZGDDHGKFJSHIK-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.31
Rot. Bonds4

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

2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide (PubChem CID 75400905) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide
PubChem CID75400905
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C3CCOCC3)[nH]n2)c(C)o1
InChIInChI=1S/C14H19N3O4S/c1-9-7-13(10(2)21-9)22(18,19)17-14-8-12(15-16-14)11-3-5-20-6-4-11/h7-8,11H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyNZGDDHGKFJSHIK-UHFFFAOYSA-N
XLogP2.31
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 126766267
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 2742267
methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate
CID 63822073
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 75445353
5-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 104617514
5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 104617521
4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686434
methyl 5-ethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylate
CID 139000249
methyl 2,5-dimethyl-4-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate
CID 139006671
5-methyl-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-4-methylsulfonylfuran-2-sulfonamide
CID 154855441

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide (CID 75400905) is 2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2cc(C3CCOCC3)[nH]n2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide?
The InChIKey is NZGDDHGKFJSHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-9-7-13(10(2)21-9)22(18,19)17-14-8-12(15-16-14)11-3-5-20-6-4-11/h7-8,11H,3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide?
2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide is sourced from PubChem (CID 75400905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).