N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide

C18H18FN3O2S — CID 71939912

IUPACN-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c1CCCN2Cc1cc(C#N)ccc1F
InChIInChI=1S/C18H18FN3O2S/c1-25(23,24)21-17-5-2-6-18-15(17)4-3-9-22(18)12-14-10-13(11-20)7-8-16(14)19/h2,5-8,10,21H,3-4,9,12H2,1H3
InChIKeyFGHYAWAGHGDUIP-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.02
Rot. Bonds4

About N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide

N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide (PubChem CID 71939912) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
PubChem CID71939912
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c1CCCN2Cc1cc(C#N)ccc1F
InChIInChI=1S/C18H18FN3O2S/c1-25(23,24)21-17-5-2-6-18-15(17)4-3-9-22(18)12-14-10-13(11-20)7-8-16(14)19/h2,5-8,10,21H,3-4,9,12H2,1H3
InChIKeyFGHYAWAGHGDUIP-UHFFFAOYSA-N
XLogP3.02
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 55923067
4-fluoro-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzonitrile
CID 115311380
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 47056365
1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 33096603
3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile
CID 24702661
1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 75423678
3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 56525211
N-[2-[(5-cyano-2-fluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43546043
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-fluorobenzonitrile
CID 102726395
3-fluoro-4-[(2-oxoazocan-1-yl)methyl]benzonitrile
CID 24702058
3-[[4-(2-cyanopropan-2-yl)piperazin-1-yl]methyl]-4-fluorobenzonitrile
CID 63340295
4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]benzonitrile
CID 24693249

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The IUPAC name of N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide (CID 71939912) is N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cccc2c1CCCN2Cc1cc(C#N)ccc1F.
What is the InChIKey of N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The InChIKey is FGHYAWAGHGDUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-25(23,24)21-17-5-2-6-18-15(17)4-3-9-22(18)12-14-10-13(11-20)7-8-16(14)19/h2,5-8,10,21H,3-4,9,12H2,1H3.
What are the key properties of N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide is sourced from PubChem (CID 71939912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).