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

C14H12FN3O2S2 — CID 53083845

IUPACN-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C14H12FN3O2S2/c1-9-8-10(15)2-3-11(9)18-22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h2-8,18H,1H3,(H,16,17)
InChIKeyDEYNCZGQTSPXLB-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.39
Rot. Bonds4

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

N-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53083845) has the molecular formula C14H12FN3O2S2 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
PubChem CID53083845
Molecular FormulaC14H12FN3O2S2
Molecular Weight337.40 g/mol
Exact Mass337.04
IUPAC NameN-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C14H12FN3O2S2/c1-9-8-10(15)2-3-11(9)18-22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h2-8,18H,1H3,(H,16,17)
InChIKeyDEYNCZGQTSPXLB-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-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (CID 53083845) is N-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is DEYNCZGQTSPXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S2/c1-9-8-10(15)2-3-11(9)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-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
N-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53083845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).