4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline

C17H17ClFN3O3S — CID 171388900

IUPAC4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline
SMILESCN(C)S(=O)(=O)Nc1ccc2c(c1)NC(=O)CC2c1cc(F)ccc1Cl
InChIInChI=1S/C17H17ClFN3O3S/c1-22(2)26(24,25)21-11-4-5-12-13(9-17(23)20-16(12)8-11)14-7-10(19)3-6-15(14)18/h3-8,13,21H,9H2,1-2H3,(H,20,23)
InChIKeyOMHCISJMTMTCAI-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.17
Rot. Bonds4

About 4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline

4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline (PubChem CID 171388900) has the molecular formula C17H17ClFN3O3S and a molecular weight of 397.86 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline
PubChem CID171388900
Molecular FormulaC17H17ClFN3O3S
Molecular Weight397.86 g/mol
Exact Mass397.07
IUPAC Name4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline
SMILESCN(C)S(=O)(=O)Nc1ccc2c(c1)NC(=O)CC2c1cc(F)ccc1Cl
InChIInChI=1S/C17H17ClFN3O3S/c1-22(2)26(24,25)21-11-4-5-12-13(9-17(23)20-16(12)8-11)14-7-10(19)3-6-15(14)18/h3-8,13,21H,9H2,1-2H3,(H,20,23)
InChIKeyOMHCISJMTMTCAI-UHFFFAOYSA-N
XLogP3.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline (CID 171388900) is 4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline is CN(C)S(=O)(=O)Nc1ccc2c(c1)NC(=O)CC2c1cc(F)ccc1Cl.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline?
The InChIKey is OMHCISJMTMTCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O3S/c1-22(2)26(24,25)21-11-4-5-12-13(9-17(23)20-16(12)8-11)14-7-10(19)3-6-15(14)18/h3-8,13,21H,9H2,1-2H3,(H,20,23).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline?
4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline has a molecular weight of 397.86 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 171388900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).