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

C14H12FN3O2S2 — CID 53083839

IUPACN-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccn[nH]3)s2)cc1F
InChIInChI=1S/C14H12FN3O2S2/c1-9-2-3-10(8-11(9)15)18-22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h2-8,18H,1H3,(H,16,17)
InChIKeyIYZITNJWGPPCES-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.39
Rot. Bonds4

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

N-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53083839) has the molecular formula C14H12FN3O2S2 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
PubChem CID53083839
Molecular FormulaC14H12FN3O2S2
Molecular Weight337.40 g/mol
Exact Mass337.04
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccn[nH]3)s2)cc1F
InChIInChI=1S/C14H12FN3O2S2/c1-9-2-3-10(8-11(9)15)18-22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h2-8,18H,1H3,(H,16,17)
InChIKeyIYZITNJWGPPCES-UHFFFAOYSA-N
XLogP3.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (CID 53083839) is N-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3ccn[nH]3)s2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is IYZITNJWGPPCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S2/c1-9-2-3-10(8-11(9)15)18-22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
N-(3-fluoro-4-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 3.39, 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-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53083839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).