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

C16H16FN3O2S2 — CID 20947589

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1
InChIInChI=1S/C16H16FN3O2S2/c1-9-8-12(17)4-5-13(9)20-24(21,22)15-7-6-14(23-15)16-10(2)11(3)18-19-16/h4-8,20H,1-3H3,(H,18,19)
InChIKeyZPBOHHWBNGHKNY-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.00
Rot. Bonds4

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

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide (PubChem CID 20947589) has the molecular formula C16H16FN3O2S2 and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide
PubChem CID20947589
Molecular FormulaC16H16FN3O2S2
Molecular Weight365.46 g/mol
Exact Mass365.07
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1
InChIInChI=1S/C16H16FN3O2S2/c1-9-8-12(17)4-5-13(9)20-24(21,22)15-7-6-14(23-15)16-10(2)11(3)18-19-16/h4-8,20H,1-3H3,(H,18,19)
InChIKeyZPBOHHWBNGHKNY-UHFFFAOYSA-N
XLogP4.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide
CID 20947550
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 20947535
N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947584
N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947510
N-(2-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947495
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969488
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43547468
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53138881
5-amino-N-(4-fluoro-2-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80744952

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide (CID 20947589) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is ZPBOHHWBNGHKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S2/c1-9-8-12(17)4-5-13(9)20-24(21,22)15-7-6-14(23-15)16-10(2)11(3)18-19-16/h4-8,20H,1-3H3,(H,18,19).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 4.00, 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)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).