(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate

C₁₈H₁₈ClNO₄S — CID 8672240

About (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate

(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate (PubChem CID 8672240) has the molecular formula C₁₈H₁₈ClNO₄S and a molecular weight of 379.87 g/mol. Its IUPAC name is (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

• Compound Name: (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
• PubChem CID: 8672240
• Molecular Formula: C₁₈H₁₈ClNO₄S
• Molecular Weight: 379.87 g/mol
• Exact Mass: 379.06
• IUPAC Name: (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
• SMILES: Cc1ccccc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
• InChI: InChI=1S/C18H18ClNO4S/c1-12-4-2-3-5-14(12)11-24-18(21)13-6-9-16(19)17(10-13)25(22,23)20-15-7-8-15/h2-6,9-10,15,20H,7-8,11H2,1H3
• InChIKey: FBWJGNQTVZAQMO-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 72.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.87
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?

The IUPAC name of (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate (CID 8672240) is (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate.

What is the SMILES notation for (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?

The canonical SMILES for (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate is Cc1ccccc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1.

What is the InChIKey of (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?

The InChIKey is FBWJGNQTVZAQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c1-12-4-2-3-5-14(12)11-24-18(21)13-6-9-16(19)17(10-13)25(22,23)20-15-7-8-15/h2-6,9-10,15,20H,7-8,11H2,1H3.

What are the key properties of (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate?

(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 379.87 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 8672240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8672240 — identifiers, structure, computed properties (public domain)

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