2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide

C18H19ClN2O4S — CID 5194086

IUPAC2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C18H19ClN2O4S/c19-15-7-4-8-16(18(15)21-9-11-25-12-10-21)20-17(22)13-26(23,24)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,22)
InChIKeyZBKOHXHJEBEKAY-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.59
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide

2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide (PubChem CID 5194086) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
PubChem CID5194086
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C18H19ClN2O4S/c19-15-7-4-8-16(18(15)21-9-11-25-12-10-21)20-17(22)13-26(23,24)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,22)
InChIKeyZBKOHXHJEBEKAY-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 2963778
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 5176013
2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate
CID 5189792
N-(2-Chlorophenyl)-2-[7-(morpholine-4-sulfonyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-YL]acetamide
CID 22576823
[2-(2-Chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-(benzenesulfonyl)propanoate
CID 24980391
N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
CID 2100353
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate
CID 2483386
N-[3-chloro-4-(4-morpholinyl)phenyl]-4-(methylthio)benzenesulfonamide
CID 1252109
2-[(4-chlorophenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2865612
N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 2995805

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide (CID 5194086) is 2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
The InChIKey is ZBKOHXHJEBEKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-15-7-4-8-16(18(15)21-9-11-25-12-10-21)20-17(22)13-26(23,24)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,22).
What are the key properties of 2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide has a molecular weight of 394.88 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 5194086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).