N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide

C₂₁H₁₉ClN₂O₄S — CID 141030437

About N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide

N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide (PubChem CID 141030437) has the molecular formula C₂₁H₁₉ClN₂O₄S and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide
• PubChem CID: 141030437
• Molecular Formula: C₂₁H₁₉ClN₂O₄S
• Molecular Weight: 430.91 g/mol
• Exact Mass: 430.08
• IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide
• SMILES: COc1ccc(S(=O)Nc2ccccc2C(=O)Nc2ccc(OC)c(Cl)c2)cc1
• InChI: InChI=1S/C21H19ClN2O4S/c1-27-15-8-10-16(11-9-15)29(26)24-19-6-4-3-5-17(19)21(25)23-14-7-12-20(28-2)18(22)13-14/h3-13,24H,1-2H3,(H,23,25)
• InChIKey: LNHGSNWLEVCMQR-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.91
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide?

The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide (CID 141030437) is N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide.

What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide?

The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide is COc1ccc(S(=O)Nc2ccccc2C(=O)Nc2ccc(OC)c(Cl)c2)cc1.

What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide?

The InChIKey is LNHGSNWLEVCMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-27-15-8-10-16(11-9-15)29(26)24-19-6-4-3-5-17(19)21(25)23-14-7-12-20(28-2)18(22)13-14/h3-13,24H,1-2H3,(H,23,25).

What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide?

N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide has a molecular weight of 430.91 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfinylamino]benzamide is sourced from PubChem (CID 141030437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141030437 — identifiers, structure, computed properties (public domain)

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