3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

C19H17FN2O4S3 — CID 43990543

IUPAC3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cccc(F)c1
InChIInChI=1S/C19H17FN2O4S3/c20-15-5-1-6-17(12-15)28(23,24)21-16-9-8-14-4-2-10-22(18(14)13-16)29(25,26)19-7-3-11-27-19/h1,3,5-9,11-13,21H,2,4,10H2
InChIKeyNYQQMNFFSLKCRU-UHFFFAOYSA-N
MW452.55 g/mol
LogP3.83
Rot. Bonds5

About 3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (PubChem CID 43990543) has the molecular formula C19H17FN2O4S3 and a molecular weight of 452.55 g/mol. Its IUPAC name is 3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
PubChem CID43990543
Molecular FormulaC19H17FN2O4S3
Molecular Weight452.55 g/mol
Exact Mass452.03
IUPAC Name3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cccc(F)c1
InChIInChI=1S/C19H17FN2O4S3/c20-15-5-1-6-17(12-15)28(23,24)21-16-9-8-14-4-2-10-22(18(14)13-16)29(25,26)19-7-3-11-27-19/h1,3,5-9,11-13,21H,2,4,10H2
InChIKeyNYQQMNFFSLKCRU-UHFFFAOYSA-N
XLogP3.83
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 18565205
3-chloro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27546036
2,5-difluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955897
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 7517976
N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43955894
2-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
CID 20962974
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,5-difluorobenzenesulfonamide
CID 43990471
2,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955914
3,4-difluoro-N-[1-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 175293375
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-fluorobenzenesulfonamide
CID 18565180
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62267076

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (CID 43990543) is 3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The InChIKey is NYQQMNFFSLKCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S3/c20-15-5-1-6-17(12-15)28(23,24)21-16-9-8-14-4-2-10-22(18(14)13-16)29(25,26)19-7-3-11-27-19/h1,3,5-9,11-13,21H,2,4,10H2.
What are the key properties of 3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 452.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 43990543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).