2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one

C13H17ClN2O4S — CID 81201911

IUPAC2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H17ClN2O4S/c1-9(13(17)16-4-6-20-7-5-16)21(18,19)10-2-3-12(15)11(14)8-10/h2-3,8-9H,4-7,15H2,1H3
InChIKeyQQOGSMOIYAGGIP-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.94
Rot. Bonds3

About 2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one

2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one (PubChem CID 81201911) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
PubChem CID81201911
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H17ClN2O4S/c1-9(13(17)16-4-6-20-7-5-16)21(18,19)10-2-3-12(15)11(14)8-10/h2-3,8-9H,4-7,15H2,1H3
InChIKeyQQOGSMOIYAGGIP-UHFFFAOYSA-N
XLogP0.94
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 61367612
2-(4-aminophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 61369164
2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline
CID 81202042
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
CID 81185324
(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one
CID 94149675
2-(2-aminophenyl)sulfonyl-1,3-dimorpholin-4-ylpropane-1,3-dione
CID 15142118
2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81183690
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 26476427
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 26476429
2-chloro-4-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 81202020
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one (CID 81201911) is 2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)S(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is QQOGSMOIYAGGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-9(13(17)16-4-6-20-7-5-16)21(18,19)10-2-3-12(15)11(14)8-10/h2-3,8-9H,4-7,15H2,1H3.
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 332.81 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 81201911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).