4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide

C16H11ClFNO2S2 — CID 139972120

IUPAC4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cscc2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H11ClFNO2S2/c17-12-4-1-10(2-5-12)13-8-22-9-14(13)11-3-6-16(15(18)7-11)23(19,20)21/h1-9H,(H2,19,20,21)
InChIKeyHWKMTBSSHNKUEG-UHFFFAOYSA-N
MW367.85 g/mol
LogP4.52
Rot. Bonds3

About 4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide

4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide (PubChem CID 139972120) has the molecular formula C16H11ClFNO2S2 and a molecular weight of 367.85 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
PubChem CID139972120
Molecular FormulaC16H11ClFNO2S2
Molecular Weight367.85 g/mol
Exact Mass366.99
IUPAC Name4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cscc2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H11ClFNO2S2/c17-12-4-1-10(2-5-12)13-8-22-9-14(13)11-3-6-16(15(18)7-11)23(19,20)21/h1-9H,(H2,19,20,21)
InChIKeyHWKMTBSSHNKUEG-UHFFFAOYSA-N
XLogP4.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide
CID 139972035
4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
CID 139972086
2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide
CID 139972097
4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide
CID 139972080
3-(4-bromophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183344
3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183335
2-fluoro-4-[3-sulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 91027770
2-fluoro-4-(furan-3-yl)benzenesulfonamide
CID 69197344
3-(3-fluoro-4-methylsulfonylphenyl)-4-[3-methyl-4-(trifluoromethoxy)phenyl]thiophene
CID 18183374
4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide
CID 146570721
4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 18930755
4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745672

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide (CID 139972120) is 4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(-c2cscc2-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide?
The InChIKey is HWKMTBSSHNKUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2S2/c17-12-4-1-10(2-5-12)13-8-22-9-14(13)11-3-6-16(15(18)7-11)23(19,20)21/h1-9H,(H2,19,20,21).
What are the key properties of 4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide?
4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide has a molecular weight of 367.85 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 139972120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).