(3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one

C17H16Cl2N2O3S — CID 7101918

IUPAC(3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCC[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c1-2-5-15-17(22)20-13-6-3-4-7-14(13)21(15)25(23,24)16-9-8-11(18)10-12(16)19/h3-4,6-10,15H,2,5H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyJZHABBXZUXAGSM-OAHLLOKOSA-N
MW399.30 g/mol
LogP4.31
Rot. Bonds4

About (3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one

(3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one (PubChem CID 7101918) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is (3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one
PubChem CID7101918
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name(3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCC[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3S/c1-2-5-15-17(22)20-13-6-3-4-7-14(13)21(15)25(23,24)16-9-8-11(18)10-12(16)19/h3-4,6-10,15H,2,5H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyJZHABBXZUXAGSM-OAHLLOKOSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide
CID 69037010
ethyl 2-[(2S)-1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1478976
ethyl 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 3767271
N-benzyl-2-[1-(3-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 22064876
2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-piperidin-2-ylethyl)acetamide
CID 69041609
2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
CID 69035613
N-[2-[1-(2-aminoacetyl)piperidin-4-yl]ethyl]-2-[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 22064926
3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84624971
methyl 4-[[[2-[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]methyl]benzoate
CID 22065077
2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-(4-cyanophenyl)ethyl]acetamide
CID 69038122
N-[(2-amino-1,3-thiazol-5-yl)methyl]-2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 87666844
2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 66756006

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one (CID 7101918) is (3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one is CCC[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is JZHABBXZUXAGSM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-2-5-15-17(22)20-13-6-3-4-7-14(13)21(15)25(23,24)16-9-8-11(18)10-12(16)19/h3-4,6-10,15H,2,5H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one?
(3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 399.30 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 7101918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).