5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide

C22H22ClN3O4S — CID 3946424

IUPAC5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C22H22ClN3O4S/c1-31(28,29)26-14-12-25(13-15-26)19-5-3-2-4-18(19)24-22(27)21-11-10-20(30-21)16-6-8-17(23)9-7-16/h2-11H,12-15H2,1H3,(H,24,27)
InChIKeyYQCIOWLXQNRHEP-UHFFFAOYSA-N
MW459.96 g/mol
LogP3.93
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 3946424) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID3946424
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC Name5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C22H22ClN3O4S/c1-31(28,29)26-14-12-25(13-15-26)19-5-3-2-4-18(19)24-22(27)21-11-10-20(30-21)16-6-8-17(23)9-7-16/h2-11H,12-15H2,1H3,(H,24,27)
InChIKeyYQCIOWLXQNRHEP-UHFFFAOYSA-N
XLogP3.93
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 5144971
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 2237354
5-(3-chlorophenyl)-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 3656622
5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 22780800
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117874
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17319178
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide
CID 23100030
5-(4-chlorophenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 17354423
2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 8559994
5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 4965545
N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17317476
5-(2,5-dichlorophenyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 17118271

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 3946424) is 5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide is CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is YQCIOWLXQNRHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-31(28,29)26-14-12-25(13-15-26)19-5-3-2-4-18(19)24-22(27)21-11-10-20(30-21)16-6-8-17(23)9-7-16/h2-11H,12-15H2,1H3,(H,24,27).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 459.96 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3946424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).