N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

C22H23FN4O3S2 — CID 16827153

IUPACN-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1
InChIInChI=1S/C22H23FN4O3S2/c1-16-6-8-18(9-7-16)32(29,30)25-22-24-17(15-31-22)14-21(28)27-12-10-26(11-13-27)20-5-3-2-4-19(20)23/h2-9,15H,10-14H2,1H3,(H,24,25)
InChIKeyNTZJQPIHGKIVOX-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.28
Rot. Bonds6

About N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 16827153) has the molecular formula C22H23FN4O3S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID16827153
Molecular FormulaC22H23FN4O3S2
Molecular Weight474.58 g/mol
Exact Mass474.12
IUPAC NameN-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1
InChIInChI=1S/C22H23FN4O3S2/c1-16-6-8-18(9-7-16)32(29,30)25-22-24-17(15-31-22)14-21(28)27-12-10-26(11-13-27)20-5-3-2-4-19(20)23/h2-9,15H,10-14H2,1H3,(H,24,25)
InChIKeyNTZJQPIHGKIVOX-UHFFFAOYSA-N
XLogP3.28
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (CID 16827153) is N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1.
What is the InChIKey of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is NTZJQPIHGKIVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S2/c1-16-6-8-18(9-7-16)32(29,30)25-22-24-17(15-31-22)14-21(28)27-12-10-26(11-13-27)20-5-3-2-4-19(20)23/h2-9,15H,10-14H2,1H3,(H,24,25).
What are the key properties of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 474.58 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 16827153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).