2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide

C23H21Cl2FN2O6S — CID 58941422

IUPAC2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2ccc(Cl)cc2F)cc1OC
InChIInChI=1S/C23H21Cl2FN2O6S/c1-33-20-8-5-15(11-21(20)34-2)35(31,32)28(12-22(27)29)19-7-4-13(24)9-17(19)23(30)16-6-3-14(25)10-18(16)26/h3-11,23,30H,12H2,1-2H3,(H2,27,29)
InChIKeyIWVBDZIGQYPTLE-UHFFFAOYSA-N
MW543.40 g/mol
LogP3.91
Rot. Bonds9

About 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide

2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide (PubChem CID 58941422) has the molecular formula C23H21Cl2FN2O6S and a molecular weight of 543.40 g/mol. Its IUPAC name is 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide
PubChem CID58941422
Molecular FormulaC23H21Cl2FN2O6S
Molecular Weight543.40 g/mol
Exact Mass542.05
IUPAC Name2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2ccc(Cl)cc2F)cc1OC
InChIInChI=1S/C23H21Cl2FN2O6S/c1-33-20-8-5-15(11-21(20)34-2)35(31,32)28(12-22(27)29)19-7-4-13(24)9-17(19)23(30)16-6-3-14(25)10-18(16)26/h3-11,23,30H,12H2,1-2H3,(H2,27,29)
InChIKeyIWVBDZIGQYPTLE-UHFFFAOYSA-N
XLogP3.91
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide?
The IUPAC name of 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide (CID 58941422) is 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide?
The canonical SMILES for 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide is COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2ccc(Cl)cc2F)cc1OC.
What is the InChIKey of 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide?
The InChIKey is IWVBDZIGQYPTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O6S/c1-33-20-8-5-15(11-21(20)34-2)35(31,32)28(12-22(27)29)19-7-4-13(24)9-17(19)23(30)16-6-3-14(25)10-18(16)26/h3-11,23,30H,12H2,1-2H3,(H2,27,29).
What are the key properties of 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide?
2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide has a molecular weight of 543.40 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(4-chloro-2-fluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 58941422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).