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

C19H16FNO3S2 — CID 2809108

IUPACN-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide
SMILESCC(=O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H16FNO3S2/c1-12-3-9-16(10-4-12)26(23,24)21-17-11-18(25-19(17)13(2)22)14-5-7-15(20)8-6-14/h3-11,21H,1-2H3
InChIKeyWAWFBHQBODDYDY-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.87
Rot. Bonds5

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

N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide (PubChem CID 2809108) has the molecular formula C19H16FNO3S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide
PubChem CID2809108
Molecular FormulaC19H16FNO3S2
Molecular Weight389.47 g/mol
Exact Mass389.06
IUPAC NameN-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide
SMILESCC(=O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H16FNO3S2/c1-12-3-9-16(10-4-12)26(23,24)21-17-11-18(25-19(17)13(2)22)14-5-7-15(20)8-6-14/h3-11,21H,1-2H3
InChIKeyWAWFBHQBODDYDY-UHFFFAOYSA-N
XLogP4.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.87
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]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide (CID 2809108) is N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide is CC(=O)c1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is WAWFBHQBODDYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S2/c1-12-3-9-16(10-4-12)26(23,24)21-17-11-18(25-19(17)13(2)22)14-5-7-15(20)8-6-14/h3-11,21H,1-2H3.
What are the key properties of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide?
N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 389.47 g/mol, XLogP of 4.87, 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2809108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).