N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide

C18H19FN2O3S — CID 2931012

IUPACN-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)cc1
InChIInChI=1S/C18H19FN2O3S/c1-12-3-4-14-11-15(19)5-10-18(14)21(12)25(23,24)17-8-6-16(7-9-17)20-13(2)22/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyHVMFSQLJJIWSHY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.31
Rot. Bonds3

About N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide

N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide (PubChem CID 2931012) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide
PubChem CID2931012
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)cc1
InChIInChI=1S/C18H19FN2O3S/c1-12-3-4-14-11-15(19)5-10-18(14)21(12)25(23,24)17-8-6-16(7-9-17)20-13(2)22/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyHVMFSQLJJIWSHY-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide (CID 2931012) is N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)cc1.
What is the InChIKey of N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide?
The InChIKey is HVMFSQLJJIWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-12-3-4-14-11-15(19)5-10-18(14)21(12)25(23,24)17-8-6-16(7-9-17)20-13(2)22/h5-12H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide?
N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]acetamide is sourced from PubChem (CID 2931012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).