4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline

C15H15FN2O2S — CID 82845024

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
SMILESNc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1F
InChIInChI=1S/C15H15FN2O2S/c16-13-10-12(7-8-14(13)17)21(19,20)18-9-3-5-11-4-1-2-6-15(11)18/h1-2,4,6-8,10H,3,5,9,17H2
InChIKeySRPJYLARZXPHCB-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds2

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline (PubChem CID 82845024) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
PubChem CID82845024
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
SMILESNc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1F
InChIInChI=1S/C15H15FN2O2S/c16-13-10-12(7-8-14(13)17)21(19,20)18-9-3-5-11-4-1-2-6-15(11)18/h1-2,4,6-8,10H,3,5,9,17H2
InChIKeySRPJYLARZXPHCB-UHFFFAOYSA-N
XLogP2.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 28796047
2-(1,4-diazepan-1-yl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)aniline;bis(2,2,2-trifluoroacetic acid)
CID 22272534
2-(1,4-diazepan-1-yl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)aniline;2,2-difluoroacetic acid
CID 159608956
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62267076
2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide
CID 169367214
1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110758239
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-fluorobenzoate
CID 9160527

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline (CID 82845024) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline is Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1F.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline?
The InChIKey is SRPJYLARZXPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-13-10-12(7-8-14(13)17)21(19,20)18-9-3-5-11-4-1-2-6-15(11)18/h1-2,4,6-8,10H,3,5,9,17H2.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline has a molecular weight of 306.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline is sourced from PubChem (CID 82845024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).