2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide

C18H17ClF2N2O5S — CID 30147474

IUPAC2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1cc(F)ccc1F
InChIInChI=1S/C18H17ClF2N2O5S/c19-12-1-4-16(17(9-12)29(25,26)23-5-7-27-8-6-23)28-11-18(24)22-15-10-13(20)2-3-14(15)21/h1-4,9-10H,5-8,11H2,(H,22,24)
InChIKeyBIXLDDNSGWEHNV-UHFFFAOYSA-N
MW446.86 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide (PubChem CID 30147474) has the molecular formula C18H17ClF2N2O5S and a molecular weight of 446.86 g/mol. Its IUPAC name is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
PubChem CID30147474
Molecular FormulaC18H17ClF2N2O5S
Molecular Weight446.86 g/mol
Exact Mass446.05
IUPAC Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1cc(F)ccc1F
InChIInChI=1S/C18H17ClF2N2O5S/c19-12-1-4-16(17(9-12)29(25,26)23-5-7-27-8-6-23)28-11-18(24)22-15-10-13(20)2-3-14(15)21/h1-4,9-10H,5-8,11H2,(H,22,24)
InChIKeyBIXLDDNSGWEHNV-UHFFFAOYSA-N
XLogP2.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.86
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469
N-(2,5-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28553842
N-(4-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147193
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide
CID 30147319
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147347
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 30147094
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 30147306
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 28550390
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 92647718
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
CID 30147236

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide (CID 30147474) is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide is O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide?
The InChIKey is BIXLDDNSGWEHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O5S/c19-12-1-4-16(17(9-12)29(25,26)23-5-7-27-8-6-23)28-11-18(24)22-15-10-13(20)2-3-14(15)21/h1-4,9-10H,5-8,11H2,(H,22,24).
What are the key properties of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide?
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide has a molecular weight of 446.86 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 30147474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).