5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide

C17H19N3O2S2 — CID 53138918

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(-c3n[nH]c(C)c3C)sc2C)c1
InChIInChI=1S/C17H19N3O2S2/c1-10-6-5-7-14(8-10)20-24(21,22)16-9-15(23-13(16)4)17-11(2)12(3)18-19-17/h5-9,20H,1-4H3,(H,18,19)
InChIKeyUWJBQFXHZZRKDR-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.17
Rot. Bonds4

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide (PubChem CID 53138918) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide
PubChem CID53138918
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(-c3n[nH]c(C)c3C)sc2C)c1
InChIInChI=1S/C17H19N3O2S2/c1-10-6-5-7-14(8-10)20-24(21,22)16-9-15(23-13(16)4)17-11(2)12(3)18-19-17/h5-9,20H,1-4H3,(H,18,19)
InChIKeyUWJBQFXHZZRKDR-UHFFFAOYSA-N
XLogP4.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide (CID 53138918) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc(-c3n[nH]c(C)c3C)sc2C)c1.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide?
The InChIKey is UWJBQFXHZZRKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-10-6-5-7-14(8-10)20-24(21,22)16-9-15(23-13(16)4)17-11(2)12(3)18-19-17/h5-9,20H,1-4H3,(H,18,19).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 361.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 53138918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).