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

C16H17FN2O2S — CID 110865660

IUPACN-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1F)N1CCCc2ccccc21
InChIInChI=1S/C16H17FN2O2S/c17-15-9-3-1-7-14(15)12-18-22(20,21)19-11-5-8-13-6-2-4-10-16(13)19/h1-4,6-7,9-10,18H,5,8,11-12H2
InChIKeyYFTZPICTUDLPAD-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.61
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 110865660) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID110865660
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1F)N1CCCc2ccccc21
InChIInChI=1S/C16H17FN2O2S/c17-15-9-3-1-7-14(15)12-18-22(20,21)19-11-5-8-13-6-2-4-10-16(13)19/h1-4,6-7,9-10,18H,5,8,11-12H2
InChIKeyYFTZPICTUDLPAD-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241457
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 109135933
1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858075
N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865909
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985214
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-fluorobenzoate
CID 9160527
1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865622
N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865860
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
CID 110865632

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 110865660) is N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide is O=S(=O)(NCc1ccccc1F)N1CCCc2ccccc21.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is YFTZPICTUDLPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-15-9-3-1-7-14(15)12-18-22(20,21)19-11-5-8-13-6-2-4-10-16(13)19/h1-4,6-7,9-10,18H,5,8,11-12H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide?
N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 320.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 110865660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).