3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

C21H19FN2O4S2 — CID 27443773

IUPAC3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1F
InChIInChI=1S/C21H19FN2O4S2/c1-28-19-9-8-16(13-17(19)22)30(26,27)23-15-7-6-14-4-2-10-24(18(14)12-15)21(25)20-5-3-11-29-20/h3,5-9,11-13,23H,2,4,10H2,1H3
InChIKeyMLYJFEYZULSRQW-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.29
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (PubChem CID 27443773) has the molecular formula C21H19FN2O4S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
PubChem CID27443773
Molecular FormulaC21H19FN2O4S2
Molecular Weight446.53 g/mol
Exact Mass446.08
IUPAC Name3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1F
InChIInChI=1S/C21H19FN2O4S2/c1-28-19-9-8-16(13-17(19)22)30(26,27)23-15-7-6-14-4-2-10-24(18(14)12-15)21(25)20-5-3-11-29-20/h3,5-9,11-13,23H,2,4,10H2,1H3
InChIKeyMLYJFEYZULSRQW-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 27555241
3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide
CID 71806584
2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 7517678
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 27555251
4-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 7498891
(7-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 51106151
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide
CID 42448544
3-fluoro-4-methoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16926385
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048
3-chloro-4-methoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16944144
[6-(propan-2-ylsulfamoylamino)-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
CID 110623599
2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 27558234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (CID 27443773) is 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The InChIKey is MLYJFEYZULSRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S2/c1-28-19-9-8-16(13-17(19)22)30(26,27)23-15-7-6-14-4-2-10-24(18(14)12-15)21(25)20-5-3-11-29-20/h3,5-9,11-13,23H,2,4,10H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is sourced from PubChem (CID 27443773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).