2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide

C17H14FNO2S2 — CID 139972035

IUPAC2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2cscc2-c2ccc(S(N)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C17H14FNO2S2/c1-11-2-4-12(5-3-11)14-9-22-10-15(14)13-6-7-17(16(18)8-13)23(19,20)21/h2-10H,1H3,(H2,19,20,21)
InChIKeyRBZSHCJFJAXBPK-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.18
Rot. Bonds3

About 2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide

2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide (PubChem CID 139972035) has the molecular formula C17H14FNO2S2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide
PubChem CID139972035
Molecular FormulaC17H14FNO2S2
Molecular Weight347.44 g/mol
Exact Mass347.04
IUPAC Name2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2cscc2-c2ccc(S(N)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C17H14FNO2S2/c1-11-2-4-12(5-3-11)14-9-22-10-15(14)13-6-7-17(16(18)8-13)23(19,20)21/h2-10H,1H3,(H2,19,20,21)
InChIKeyRBZSHCJFJAXBPK-UHFFFAOYSA-N
XLogP4.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide (CID 139972035) is 2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide is Cc1ccc(-c2cscc2-c2ccc(S(N)(=O)=O)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is RBZSHCJFJAXBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S2/c1-11-2-4-12(5-3-11)14-9-22-10-15(14)13-6-7-17(16(18)8-13)23(19,20)21/h2-10H,1H3,(H2,19,20,21).
What are the key properties of 2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide?
2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 139972035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).