N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide

C21H20N2O5S — CID 171347084

IUPACN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1
InChIInChI=1S/C21H20N2O5S/c1-27-18-7-2-3-9-20(18)29(25,26)22-16-10-11-17-15(14-16)6-4-12-23(17)21(24)19-8-5-13-28-19/h2-3,5,7-11,13-14,22H,4,6,12H2,1H3
InChIKeyBJZUEYWNYFPRSJ-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide (PubChem CID 171347084) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide
PubChem CID171347084
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1
InChIInChI=1S/C21H20N2O5S/c1-27-18-7-2-3-9-20(18)29(25,26)22-16-10-11-17-15(14-16)6-4-12-23(17)21(24)19-8-5-13-28-19/h2-3,5,7-11,13-14,22H,4,6,12H2,1H3
InChIKeyBJZUEYWNYFPRSJ-UHFFFAOYSA-N
XLogP3.68
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-methylthiophene-2-sulfonamide
CID 7498873
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 171357293
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide
CID 7498597
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
CID 175256047
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 16834590
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide
CID 171343854
ethyl 1-(furan-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 71919929
N-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 171354423
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 7498773
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394
furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 164578193

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide (CID 171347084) is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1.
What is the InChIKey of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide?
The InChIKey is BJZUEYWNYFPRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-27-18-7-2-3-9-20(18)29(25,26)22-16-10-11-17-15(14-16)6-4-12-23(17)21(24)19-8-5-13-28-19/h2-3,5,7-11,13-14,22H,4,6,12H2,1H3.
What are the key properties of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide?
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide has a molecular weight of 412.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 171347084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).