5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

C16H17ClFN3O5S3 — CID 39934755

IUPAC5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)s1
InChIInChI=1S/C16H17ClFN3O5S3/c17-13-10-12(2-3-14(13)18)29(25,26)21-7-5-20(6-8-21)15(22)9-11-1-4-16(27-11)28(19,23)24/h1-4,10H,5-9H2,(H2,19,23,24)
InChIKeyPFNGXSQBYSXHPQ-UHFFFAOYSA-N
MW481.98 g/mol
LogP1.26
Rot. Bonds5

About 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 39934755) has the molecular formula C16H17ClFN3O5S3 and a molecular weight of 481.98 g/mol. Its IUPAC name is 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID39934755
Molecular FormulaC16H17ClFN3O5S3
Molecular Weight481.98 g/mol
Exact Mass481.00
IUPAC Name5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)s1
InChIInChI=1S/C16H17ClFN3O5S3/c17-13-10-12(2-3-14(13)18)29(25,26)21-7-5-20(6-8-21)15(22)9-11-1-4-16(27-11)28(19,23)24/h1-4,10H,5-9H2,(H2,19,23,24)
InChIKeyPFNGXSQBYSXHPQ-UHFFFAOYSA-N
XLogP1.26
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

3-(4-Chlorophenyl)sulfonyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2094713
1-(Phenylsulfonyl)-4-(2-thienylacetyl)piperazine
CID 2225174
1-[4-(3,4-Difluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 8933943
1-[4-(2,5-Dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 24687442
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 25161661
1-[4-(5-Chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 8622836
[4-(Benzenesulfonyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 1246600
1-[(4-Fluorophenyl)sulfonyl]-4-(thien-2-ylacetyl)piperazine
CID 4410795
1-[4-(3-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 24979569
2-(2-Chloro-6-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2551192
(5-Chlorothiophen-2-yl){4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}methanone
CID 7921522
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 16300004

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (CID 39934755) is 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)s1.
What is the InChIKey of 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is PFNGXSQBYSXHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O5S3/c17-13-10-12(2-3-14(13)18)29(25,26)21-7-5-20(6-8-21)15(22)9-11-1-4-16(27-11)28(19,23)24/h1-4,10H,5-9H2,(H2,19,23,24).
What are the key properties of 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 481.98 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 39934755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).