6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide

C16H11Cl2N3O4S — CID 67909950

IUPAC6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C16H11Cl2N3O4S/c1-8-4-2-3-5-13(8)26(24,25)21-16(23)14-15(22)20-12-7-10(18)9(17)6-11(12)19-14/h2-7H,1H3,(H,20,22)(H,21,23)
InChIKeyQNTCONDVAPYJLD-UHFFFAOYSA-N
MW412.25 g/mol
LogP2.66
Rot. Bonds3

About 6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide

6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 67909950) has the molecular formula C16H11Cl2N3O4S and a molecular weight of 412.25 g/mol. Its IUPAC name is 6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID67909950
Molecular FormulaC16H11Cl2N3O4S
Molecular Weight412.25 g/mol
Exact Mass410.98
IUPAC Name6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C16H11Cl2N3O4S/c1-8-4-2-3-5-13(8)26(24,25)21-16(23)14-15(22)20-12-7-10(18)9(17)6-11(12)19-14/h2-7H,1H3,(H,20,22)(H,21,23)
InChIKeyQNTCONDVAPYJLD-UHFFFAOYSA-N
XLogP2.66
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6,7-Dichloro-3-oxo-3,4-dihydro-quinoxaline-2-carbonyl)-benzenesulfonamide
CID 44348419
N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 2380645
N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 4622669
N-3,4-dichlorophenyl(S)-2-(2,5-xylylsulfonylamino)propionamide
CID 984227
6,7-dichloro-N-(2-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 9931703
6,7-dichloro-N-(4-fluorophenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 67909964
6,7-dichloro-3-oxo-N-[3-(trifluoromethyl)phenyl]sulfonyl-4H-quinoxaline-2-carboxamide
CID 67910560
N-(3,4-dichlorophenyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26577125
N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 30329968
N-(3,4-dichlorophenyl)-2-[(5-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
CID 39621592
N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 46420331
N-(3,4-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
CID 46534953

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of 6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide (CID 67909950) is 6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for 6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for 6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)c1nc2cc(Cl)c(Cl)cc2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is QNTCONDVAPYJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O4S/c1-8-4-2-3-5-13(8)26(24,25)21-16(23)14-15(22)20-12-7-10(18)9(17)6-11(12)19-14/h2-7H,1H3,(H,20,22)(H,21,23).
What are the key properties of 6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide?
6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 412.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 67909950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).