6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one

C15H17ClN2O6S — CID 22551500

IUPAC6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(S(=O)(=O)CCC(=O)N3CCOCC3)c(Cl)cc2N1
InChIInChI=1S/C15H17ClN2O6S/c16-10-7-11-12(24-9-14(19)17-11)8-13(10)25(21,22)6-1-15(20)18-2-4-23-5-3-18/h7-8H,1-6,9H2,(H,17,19)
InChIKeyZPKWCXUTRAQTRY-UHFFFAOYSA-N
MW388.83 g/mol
LogP0.69
Rot. Bonds4

About 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one

6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one (PubChem CID 22551500) has the molecular formula C15H17ClN2O6S and a molecular weight of 388.83 g/mol. Its IUPAC name is 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one
PubChem CID22551500
Molecular FormulaC15H17ClN2O6S
Molecular Weight388.83 g/mol
Exact Mass388.05
IUPAC Name6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(S(=O)(=O)CCC(=O)N3CCOCC3)c(Cl)cc2N1
InChIInChI=1S/C15H17ClN2O6S/c16-10-7-11-12(24-9-14(19)17-11)8-13(10)25(21,22)6-1-15(20)18-2-4-23-5-3-18/h7-8H,1-6,9H2,(H,17,19)
InChIKeyZPKWCXUTRAQTRY-UHFFFAOYSA-N
XLogP0.69
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanoylamino]piperidine-1-carboxylate
CID 46273802
7-(3-oxo-3-piperidin-1-ylpropyl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 126459857
3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 92686801
6-chloro-7-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 53064746
6-chloro-N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 20969830
3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(pyridin-2-ylmethyl)propanamide
CID 22551415
3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[4-(1,2-oxazol-5-yl)phenyl]propanamide
CID 20909815
6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 22551389
(2S)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 92863811
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 22551370
6-chloro-7-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 30838373
6-chloro-N-methyl-3-oxo-N-[2-oxo-2-[4-[(2R)-pentan-2-yl]piperazin-1-yl]ethyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 92726823

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one (CID 22551500) is 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one is O=C1COc2cc(S(=O)(=O)CCC(=O)N3CCOCC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one?
The InChIKey is ZPKWCXUTRAQTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O6S/c16-10-7-11-12(24-9-14(19)17-11)8-13(10)25(21,22)6-1-15(20)18-2-4-23-5-3-18/h7-8H,1-6,9H2,(H,17,19).
What are the key properties of 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one?
6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one has a molecular weight of 388.83 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(3-morpholin-4-yl-3-oxopropyl)sulfonyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 22551500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).