1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide

Name: 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₅FN₂O₂S₂ — CID 110718501

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide

SMILESCc1ncsc1CCNS(=O)(=O)Cc1ccc(F)cc1

InChIInChI=1S/C13H15FN2O2S2/c1-10-13(19-9-15-10)6-7-16-20(17,18)8-11-2-4-12(14)5-3-11/h2-5,9,16H,6-8H2,1H3

InChIKeyWKDPJBSJVCTQEX-UHFFFAOYSA-N

MW314.41 g/mol

LogP2.25

Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide (PubChem CID 110718501) has the molecular formula C₁₃H₁₅FN₂O₂S₂ and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name	1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
PubChem CID	110718501
Molecular Formula	C₁₃H₁₅FN₂O₂S₂
Molecular Weight	314.41 g/mol
Exact Mass	314.06
IUPAC Name	1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
SMILES	Cc1ncsc1CCNS(=O)(=O)Cc1ccc(F)cc1
InChI	InChI=1S/C13H15FN2O2S2/c1-10-13(19-9-15-10)6-7-16-20(17,18)8-11-2-4-12(14)5-3-11/h2-5,9,16H,6-8H2,1H3
InChIKey	WKDPJBSJVCTQEX-UHFFFAOYSA-N
XLogP	2.25
TPSA	59.06 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.41
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide (CID 110718501) is 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide is Cc1ncsc1CCNS(=O)(=O)Cc1ccc(F)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide?

The InChIKey is WKDPJBSJVCTQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-10-13(19-9-15-10)6-7-16-20(17,18)8-11-2-4-12(14)5-3-11/h2-5,9,16H,6-8H2,1H3.

What are the key properties of 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide?

1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110718501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 110718501 — identifiers, structure, computed properties (public domain)

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