1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide

C16H16ClFN2O4S2 — CID 43990533

IUPAC1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C16H16ClFN2O4S2/c17-11-25(21,22)19-14-6-3-12-2-1-9-20(16(12)10-14)26(23,24)15-7-4-13(18)5-8-15/h3-8,10,19H,1-2,9,11H2
InChIKeyQFBRLJDMPRDECU-UHFFFAOYSA-N
MW418.90 g/mol
LogP2.91
Rot. Bonds5

About 1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide

1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (PubChem CID 43990533) has the molecular formula C16H16ClFN2O4S2 and a molecular weight of 418.90 g/mol. Its IUPAC name is 1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
PubChem CID43990533
Molecular FormulaC16H16ClFN2O4S2
Molecular Weight418.90 g/mol
Exact Mass418.02
IUPAC Name1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C16H16ClFN2O4S2/c17-11-25(21,22)19-14-6-3-12-2-1-9-20(16(12)10-14)26(23,24)15-7-4-13(18)5-8-15/h3-8,10,19H,1-2,9,11H2
InChIKeyQFBRLJDMPRDECU-UHFFFAOYSA-N
XLogP2.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 18565205
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 43990576
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 18565156
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
CID 43990523
2,6-dichloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 69282851
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,5-difluorobenzenesulfonamide
CID 43990471
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide
CID 43990532
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145
methyl 2-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]benzoate
CID 141486298
4-ethyl-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27368912
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1H-pyrrole-2-carboxamide
CID 90088376

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (CID 43990533) is 1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is O=S(=O)(CCl)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2.
What is the InChIKey of 1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The InChIKey is QFBRLJDMPRDECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O4S2/c17-11-25(21,22)19-14-6-3-12-2-1-9-20(16(12)10-14)26(23,24)15-7-4-13(18)5-8-15/h3-8,10,19H,1-2,9,11H2.
What are the key properties of 1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide has a molecular weight of 418.90 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 43990533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).