N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide

C22H22FN3O5S3 — CID 43900929

IUPACN-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22FN3O5S3/c23-18-8-10-19(11-9-18)26(34(30,31)22-7-4-16-32-22)17-21(27)24-12-14-25(15-13-24)33(28,29)20-5-2-1-3-6-20/h1-11,16H,12-15,17H2
InChIKeyNOKGZFRISKCKPL-UHFFFAOYSA-N
MW523.63 g/mol
LogP2.62
Rot. Bonds7

About N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide (PubChem CID 43900929) has the molecular formula C22H22FN3O5S3 and a molecular weight of 523.63 g/mol. Its IUPAC name is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide
PubChem CID43900929
Molecular FormulaC22H22FN3O5S3
Molecular Weight523.63 g/mol
Exact Mass523.07
IUPAC NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22FN3O5S3/c23-18-8-10-19(11-9-18)26(34(30,31)22-7-4-16-32-22)17-21(27)24-12-14-25(15-13-24)33(28,29)20-5-2-1-3-6-20/h1-11,16H,12-15,17H2
InChIKeyNOKGZFRISKCKPL-UHFFFAOYSA-N
XLogP2.62
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.63
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide
CID 43900928
ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 30267747
N-(4-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 1134605
N-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2899307
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 26202246
2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 7750224
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 28580190
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 43900921
N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 17398452
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 43900926
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43900957
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 51344904

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide (CID 43900929) is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide?
The InChIKey is NOKGZFRISKCKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O5S3/c23-18-8-10-19(11-9-18)26(34(30,31)22-7-4-16-32-22)17-21(27)24-12-14-25(15-13-24)33(28,29)20-5-2-1-3-6-20/h1-11,16H,12-15,17H2.
What are the key properties of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide?
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide has a molecular weight of 523.63 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 43900929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).