N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

C24H21ClFN3O6S — CID 98173504

About N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 98173504) has the molecular formula C24H21ClFN3O6S and a molecular weight of 533.97 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 98173504
• Molecular Formula: C24H21ClFN3O6S
• Molecular Weight: 533.97 g/mol
• Exact Mass: 533.08
• IUPAC Name: N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(N[C@@H](C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccco1
• InChI: InChI=1S/C24H21ClFN3O6S/c25-17-6-8-19(9-7-17)36(33,34)22(27-21(30)20-5-2-14-35-20)24(32)29-12-10-28(11-13-29)23(31)16-3-1-4-18(26)15-16/h1-9,14-15,22H,10-13H2,(H,27,30)/t22-/m1/s1
• InChIKey: HXJJMMZCGPQTIB-JOCHJYFZSA-N
• XLogP: 2.59
• TPSA: 117.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.97
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 98173504) is N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is O=C(N[C@@H](C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccco1.

What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is HXJJMMZCGPQTIB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H21ClFN3O6S/c25-17-6-8-19(9-7-17)36(33,34)22(27-21(30)20-5-2-14-35-20)24(32)29-12-10-28(11-13-29)23(31)16-3-1-4-18(26)15-16/h1-9,14-15,22H,10-13H2,(H,27,30)/t22-/m1/s1.

What are the key properties of N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?

N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 533.97 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 98173504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).