N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide

C18H14FNO3S2 — CID 2809107

IUPACN-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide
SMILESCC(=O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14FNO3S2/c1-12(21)18-16(20-25(22,23)15-5-3-2-4-6-15)11-17(24-18)13-7-9-14(19)10-8-13/h2-11,20H,1H3
InChIKeyAWAKUMXVLZHKOB-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.56
Rot. Bonds5

About N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide

N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide (PubChem CID 2809107) has the molecular formula C18H14FNO3S2 and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide
PubChem CID2809107
Molecular FormulaC18H14FNO3S2
Molecular Weight375.45 g/mol
Exact Mass375.04
IUPAC NameN-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide
SMILESCC(=O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14FNO3S2/c1-12(21)18-16(20-25(22,23)15-5-3-2-4-6-15)11-17(24-18)13-7-9-14(19)10-8-13/h2-11,20H,1H3
InChIKeyAWAKUMXVLZHKOB-UHFFFAOYSA-N
XLogP4.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide (CID 2809107) is N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide is CC(=O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is AWAKUMXVLZHKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3S2/c1-12(21)18-16(20-25(22,23)15-5-3-2-4-6-15)11-17(24-18)13-7-9-14(19)10-8-13/h2-11,20H,1H3.
What are the key properties of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide?
N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 2809107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).