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

C15H14FN3O2S2 — CID 20947476

IUPACN-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(F)c3)s2)n[nH]1
InChIInChI=1S/C15H14FN3O2S2/c1-9-3-4-11(8-12(9)16)19-23(20,21)15-6-5-14(22-15)13-7-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18)
InChIKeyQQLWGMKCPHMLFD-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.69
Rot. Bonds4

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

N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 20947476) has the molecular formula C15H14FN3O2S2 and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID20947476
Molecular FormulaC15H14FN3O2S2
Molecular Weight351.43 g/mol
Exact Mass351.05
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(F)c3)s2)n[nH]1
InChIInChI=1S/C15H14FN3O2S2/c1-9-3-4-11(8-12(9)16)19-23(20,21)15-6-5-14(22-15)13-7-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18)
InChIKeyQQLWGMKCPHMLFD-UHFFFAOYSA-N
XLogP3.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 11294571
2-(3-(Thiophen-2-YL)-1H-pyrazol-5-YL)aniline
CID 10514262
N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396399
5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 20947471
5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
CID 20947497
5-Phenyl-3-(thiophen-2-yl)-1h-pyrazole
CID 12226798
N-(4-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947432
2-Methyl-5-(3-methyl-1H-pyrazol-5-YL)-N-(1,2,3,4-tetrahydronaphthalen-1-YL)thiophene-3-sulfonamide
CID 53138862
N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947418
4-methyl-1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-thienyl]sulfonyl}piperidine
CID 20947435
2-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 20947446
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
CID 20947530

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 20947476) is N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(F)c3)s2)n[nH]1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is QQLWGMKCPHMLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S2/c1-9-3-4-11(8-12(9)16)19-23(20,21)15-6-5-14(22-15)13-7-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).