2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide

C19H21ClFN3O7S2 — CID 2950774

IUPAC2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1OCC(N)=O
InChIInChI=1S/C19H21ClFN3O7S2/c1-12-8-14(20)18(10-17(12)31-11-19(22)25)32(26,27)23-16-9-13(2-3-15(16)21)33(28,29)24-4-6-30-7-5-24/h2-3,8-10,23H,4-7,11H2,1H3,(H2,22,25)
InChIKeyBGPTWGLENOSIGH-UHFFFAOYSA-N
MW521.98 g/mol
LogP1.47
Rot. Bonds8

About 2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide

2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide (PubChem CID 2950774) has the molecular formula C19H21ClFN3O7S2 and a molecular weight of 521.98 g/mol. Its IUPAC name is 2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide
PubChem CID2950774
Molecular FormulaC19H21ClFN3O7S2
Molecular Weight521.98 g/mol
Exact Mass521.05
IUPAC Name2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1OCC(N)=O
InChIInChI=1S/C19H21ClFN3O7S2/c1-12-8-14(20)18(10-17(12)31-11-19(22)25)32(26,27)23-16-9-13(2-3-15(16)21)33(28,29)24-4-6-30-7-5-24/h2-3,8-10,23H,4-7,11H2,1H3,(H2,22,25)
InChIKeyBGPTWGLENOSIGH-UHFFFAOYSA-N
XLogP1.47
TPSA145.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.98
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The IUPAC name of 2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide (CID 2950774) is 2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The InChIKey is BGPTWGLENOSIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O7S2/c1-12-8-14(20)18(10-17(12)31-11-19(22)25)32(26,27)23-16-9-13(2-3-15(16)21)33(28,29)24-4-6-30-7-5-24/h2-3,8-10,23H,4-7,11H2,1H3,(H2,22,25).
What are the key properties of 2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide has a molecular weight of 521.98 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[(2-fluoro-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylphenoxy]acetamide is sourced from PubChem (CID 2950774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).