2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone

C12H15ClN2O4S — CID 81175966

IUPAC2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone
SMILESNc1cc(Cl)ccc1S(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C12H15ClN2O4S/c13-9-1-2-11(10(14)7-9)20(17,18)8-12(16)15-3-5-19-6-4-15/h1-2,7H,3-6,8,14H2
InChIKeyILSOQIPANRGPEM-UHFFFAOYSA-N
MW318.78 g/mol
LogP0.55
Rot. Bonds3

About 2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone

2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone (PubChem CID 81175966) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone
PubChem CID81175966
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone
SMILESNc1cc(Cl)ccc1S(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C12H15ClN2O4S/c13-9-1-2-11(10(14)7-9)20(17,18)8-12(16)15-3-5-19-6-4-15/h1-2,7H,3-6,8,14H2
InChIKeyILSOQIPANRGPEM-UHFFFAOYSA-N
XLogP0.55
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 50.55
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-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
CID 81175594
2-[(3-amino-4-pyridinyl)sulfonyl]-1-morpholin-4-ylethanone
CID 62113459
2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
CID 81180590
5-chloro-2-(oxan-4-ylmethylsulfonyl)aniline
CID 81175716
2-(2-amino-5-chlorophenyl)sulfinyl-1-morpholin-4-ylethanone
CID 81181296
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
2-[[2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]sulfonyl]-1-morpholin-4-ylethanone
CID 45354905
4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile
CID 60723145

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone (CID 81175966) is 2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone is Nc1cc(Cl)ccc1S(=O)(=O)CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone?
The InChIKey is ILSOQIPANRGPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c13-9-1-2-11(10(14)7-9)20(17,18)8-12(16)15-3-5-19-6-4-15/h1-2,7H,3-6,8,14H2.
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone?
2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone has a molecular weight of 318.78 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 81175966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).