5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide

C20H20FN3O4S — CID 118694996

IUPAC5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
SMILESCc1cc(=O)[nH]c2ccc(N(C)C(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)cc12
InChIInChI=1S/C20H20FN3O4S/c1-12-9-19(25)22-18-8-5-13(10-15(12)18)24(4)20(26)16-11-14(6-7-17(16)21)29(27,28)23(2)3/h5-11H,1-4H3,(H,22,25)
InChIKeyGIFCXRSOXZVQEC-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.50
Rot. Bonds4

About 5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide

5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide (PubChem CID 118694996) has the molecular formula C20H20FN3O4S and a molecular weight of 417.46 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
PubChem CID118694996
Molecular FormulaC20H20FN3O4S
Molecular Weight417.46 g/mol
Exact Mass417.12
IUPAC Name5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
SMILESCc1cc(=O)[nH]c2ccc(N(C)C(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)cc12
InChIInChI=1S/C20H20FN3O4S/c1-12-9-19(25)22-18-8-5-13(10-15(12)18)24(4)20(26)16-11-14(6-7-17(16)21)29(27,28)23(2)3/h5-11H,1-4H3,(H,22,25)
InChIKeyGIFCXRSOXZVQEC-UHFFFAOYSA-N
XLogP2.50
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoyl)-2-fluoro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 118694956
N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 55903058
N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide
CID 86963141
5-(dimethylsulfamoyl)-2-(3-hydroxypyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 118695136
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 90259183
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide
CID 86963073
cyanomethyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976390
2-oxopropyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976393
N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 110166676
2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide
CID 107027600
[2-(N-methylanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976405

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide (CID 118694996) is 5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide is Cc1cc(=O)[nH]c2ccc(N(C)C(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)cc12.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide?
The InChIKey is GIFCXRSOXZVQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S/c1-12-9-19(25)22-18-8-5-13(10-15(12)18)24(4)20(26)16-11-14(6-7-17(16)21)29(27,28)23(2)3/h5-11H,1-4H3,(H,22,25).
What are the key properties of 5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide?
5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide has a molecular weight of 417.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-fluoro-N-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide is sourced from PubChem (CID 118694996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).