4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C20H20ClN3O6S — CID 55681746

IUPAC4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCCCNC(=O)C1CN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c2ccccc2O1
InChIInChI=1S/C20H20ClN3O6S/c1-2-7-22-20(26)17-10-24(14-5-3-4-6-15(14)30-17)31(27,28)18-9-16-13(8-12(18)21)23-19(25)11-29-16/h3-6,8-9,17H,2,7,10-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyJFISYRJLPWKRCR-UHFFFAOYSA-N
MW465.92 g/mol
LogP2.15
Rot. Bonds5

About 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 55681746) has the molecular formula C20H20ClN3O6S and a molecular weight of 465.92 g/mol. Its IUPAC name is 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID55681746
Molecular FormulaC20H20ClN3O6S
Molecular Weight465.92 g/mol
Exact Mass465.08
IUPAC Name4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCCCNC(=O)C1CN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c2ccccc2O1
InChIInChI=1S/C20H20ClN3O6S/c1-2-7-22-20(26)17-10-24(14-5-3-4-6-15(14)30-17)31(27,28)18-9-16-13(8-12(18)21)23-19(25)11-29-16/h3-6,8-9,17H,2,7,10-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyJFISYRJLPWKRCR-UHFFFAOYSA-N
XLogP2.15
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide 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

4-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43025846
4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46445081
(2R)-4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9301610
(2S)-N-propyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9301613
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 53068408
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 50764482
2-fluoro-5-[[2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid
CID 45415300
(2R)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 95068494
(2S)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 95068544
(2R)-4-[(E)-2-phenylethenyl]sulfonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9301537
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 46288744
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylpropyl)pyrrolidine-2-carboxamide
CID 53068413

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 55681746) is 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CCCNC(=O)C1CN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c2ccccc2O1.
What is the InChIKey of 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is JFISYRJLPWKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O6S/c1-2-7-22-20(26)17-10-24(14-5-3-4-6-15(14)30-17)31(27,28)18-9-16-13(8-12(18)21)23-19(25)11-29-16/h3-6,8-9,17H,2,7,10-11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 465.92 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 55681746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).