2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C18H18ClFN2O4S2 — CID 29479537

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccc(F)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18ClFN2O4S2/c19-16-11-14(3-6-17(16)20)27-12-18(23)21-13-1-4-15(5-2-13)28(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyRQOKJNHMVCYSEI-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.23
Rot. Bonds6

About 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 29479537) has the molecular formula C18H18ClFN2O4S2 and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID29479537
Molecular FormulaC18H18ClFN2O4S2
Molecular Weight444.94 g/mol
Exact Mass444.04
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ccc(F)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18ClFN2O4S2/c19-16-11-14(3-6-17(16)20)27-12-18(23)21-13-1-4-15(5-2-13)28(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyRQOKJNHMVCYSEI-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 29479546
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 55772255
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
CID 8680759
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 29479540
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 5071804
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
N-(4-chlorophenyl)-2-[1-(4-morpholin-4-ylsulfonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 4114511
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2336442

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 29479537) is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CSc1ccc(F)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is RQOKJNHMVCYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S2/c19-16-11-14(3-6-17(16)20)27-12-18(23)21-13-1-4-15(5-2-13)28(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,21,23).
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 444.94 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 29479537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).