N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide)

C81H72Cl4N16O12S4 — CID 157271066

About N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide)

N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide) (PubChem CID 157271066) has the molecular formula C81H72Cl4N16O12S4 and a molecular weight of 1731.65 g/mol. Its IUPAC name is N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide).

Molecular Properties

• Compound Name: N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide)
• PubChem CID: 157271066
• Molecular Formula: C81H72Cl4N16O12S4
• Molecular Weight: 1731.65 g/mol
• Exact Mass: 1728.32
• IUPAC Name: N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide)
• SMILES: Cc1ccc(-c2cc(NC(=O)c3ccc(N4CCNS4(=O)=O)cc3)ccc2Cl)nc1.Cc1ccc(-c2cc(NC(=O)c3ccc(N4CCNS4(=O)=O)cc3)ccc2Cl)nc1.Nc1cccc2c(NC(=O)c3ccc(N4CCNS4(=O)=O)cc3)cccc12.O=C(Nc1ccc(Cl)c(-c2ccc(Cl)cn2)c1)c1ccc(N2CCNS2(=O)=O)cc1
• InChI: InChI=1S/2C21H19ClN4O3S.C20H16Cl2N4O3S.C19H18N4O3S/c2*1-14-2-9-20(23-13-14)18-12-16(5-8-19(18)22)25-21(27)15-3-6-17(7-4-15)26-11-10-24-30(26,28)29;21-14-3-8-19(23-12-14)17-11-15(4-7-18(17)22)25-20(27)13-1-5-16(6-2-13)26-10-9-24-30(26,28)29;20-17-5-1-4-16-15(17)3-2-6-18(16)22-19(24)13-7-9-14(10-8-13)23-12-11-21-27(23,25)26/h2*2-9,12-13,24H,10-11H2,1H3,(H,25,27);1-8,11-12,24H,9-10H2,(H,25,27);1-10,21H,11-12,20H2,(H,22,24)
• InChIKey: AYNVSPOTLBOCNO-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 378.73 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1731.65
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide)?

The IUPAC name of N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide) (CID 157271066) is N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide).

What is the SMILES notation for N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide)?

The canonical SMILES for N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide) is Cc1ccc(-c2cc(NC(=O)c3ccc(N4CCNS4(=O)=O)cc3)ccc2Cl)nc1.Cc1ccc(-c2cc(NC(=O)c3ccc(N4CCNS4(=O)=O)cc3)ccc2Cl)nc1.Nc1cccc2c(NC(=O)c3ccc(N4CCNS4(=O)=O)cc3)cccc12.O=C(Nc1ccc(Cl)c(-c2ccc(Cl)cn2)c1)c1ccc(N2CCNS2(=O)=O)cc1.

What is the InChIKey of N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide)?

The InChIKey is AYNVSPOTLBOCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19ClN4O3S.C20H16Cl2N4O3S.C19H18N4O3S/c2*1-14-2-9-20(23-13-14)18-12-16(5-8-19(18)22)25-21(27)15-3-6-17(7-4-15)26-11-10-24-30(26,28)29;21-14-3-8-19(23-12-14)17-11-15(4-7-18(17)22)25-20(27)13-1-5-16(6-2-13)26-10-9-24-30(26,28)29;20-17-5-1-4-16-15(17)3-2-6-18(16)22-19(24)13-7-9-14(10-8-13)23-12-11-21-27(23,25)26/h2*2-9,12-13,24H,10-11H2,1H3,(H,25,27);1-8,11-12,24H,9-10H2,(H,25,27);1-10,21H,11-12,20H2,(H,22,24).

What are the key properties of N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide)?

N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide) has a molecular weight of 1731.65 g/mol, XLogP of 13.53, 15 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-aminonaphthalen-1-yl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide;bis(N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide) is sourced from PubChem (CID 157271066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).