1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide

C17H16FN3O2S — CID 75423678

IUPAC1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESN#Cc1ccc(CN2CCCc3ccc(S(N)(=O)=O)cc32)c(F)c1
InChIInChI=1S/C17H16FN3O2S/c18-16-8-12(10-19)3-4-14(16)11-21-7-1-2-13-5-6-15(9-17(13)21)24(20,22)23/h3-6,8-9H,1-2,7,11H2,(H2,20,22,23)
InChIKeyOZHFCLFRXZCTAX-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.30
Rot. Bonds3

About 1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide

1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide (PubChem CID 75423678) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
PubChem CID75423678
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESN#Cc1ccc(CN2CCCc3ccc(S(N)(=O)=O)cc32)c(F)c1
InChIInChI=1S/C17H16FN3O2S/c18-16-8-12(10-19)3-4-14(16)11-21-7-1-2-13-5-6-15(9-17(13)21)24(20,22)23/h3-6,8-9H,1-2,7,11H2,(H2,20,22,23)
InChIKeyOZHFCLFRXZCTAX-UHFFFAOYSA-N
XLogP2.30
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile
CID 24702661
3-fluoro-4-[(2-oxoazocan-1-yl)methyl]benzonitrile
CID 24702058
1-(4-cyanobutyl)-2,3-dihydroindole-6-sulfonamide
CID 71986862
4-(azepan-1-ylmethyl)-3-fluorobenzonitrile
CID 24711476
N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 71939912
3-[2-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-piperidin-1-ylbenzenesulfonamide
CID 91606916
1-[(5-cyano-2-fluorophenyl)methyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 33096603
4-[(6-amino-2,3-dihydroindol-1-yl)methyl]-3-methylbenzonitrile
CID 114484217
4-[[4-(cyanomethyl)piperazin-1-yl]methyl]-3-fluorobenzonitrile
CID 63336896
1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide
CID 111496549
1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 60644856
1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 71943822

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The IUPAC name of 1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide (CID 75423678) is 1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide.
What is the SMILES notation for 1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The canonical SMILES for 1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide is N#Cc1ccc(CN2CCCc3ccc(S(N)(=O)=O)cc32)c(F)c1.
What is the InChIKey of 1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The InChIKey is OZHFCLFRXZCTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c18-16-8-12(10-19)3-4-14(16)11-21-7-1-2-13-5-6-15(9-17(13)21)24(20,22)23/h3-6,8-9H,1-2,7,11H2,(H2,20,22,23).
What are the key properties of 1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide has a molecular weight of 345.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide is sourced from PubChem (CID 75423678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).