2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide

C27H28Cl2N2O4S — CID 133162981

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 133162981) has the molecular formula C27H28Cl2N2O4S and a molecular weight of 547.50 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
• PubChem CID: 133162981
• Molecular Formula: C27H28Cl2N2O4S
• Molecular Weight: 547.50 g/mol
• Exact Mass: 546.11
• IUPAC Name: 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
• SMILES: CCC1(CC)CC(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c2ccccc2O1
• InChI: InChI=1S/C27H28Cl2N2O4S/c1-3-27(4-2)17-22(20-13-8-9-16-24(20)35-27)30-25(32)18-31(23-15-10-14-21(28)26(23)29)36(33,34)19-11-6-5-7-12-19/h5-16,22H,3-4,17-18H2,1-2H3,(H,30,32)
• InChIKey: ARICJYKIATXNAG-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.50
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide (CID 133162981) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide is CCC1(CC)CC(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c2ccccc2O1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide?

The InChIKey is ARICJYKIATXNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O4S/c1-3-27(4-2)17-22(20-13-8-9-16-24(20)35-27)30-25(32)18-31(23-15-10-14-21(28)26(23)29)36(33,34)19-11-6-5-7-12-19/h5-16,22H,3-4,17-18H2,1-2H3,(H,30,32).

What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide?

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 547.50 g/mol, XLogP of 6.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 133162981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).