N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide

C18H20N2O4S — CID 7586257

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(21)20-11-3-4-14-5-6-15(12-18(14)20)19-25(22,23)17-9-7-16(24-2)8-10-17/h5-10,12,19H,3-4,11H2,1-2H3
InChIKeyCJYWOGVNHXIUMC-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.80
Rot. Bonds4

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide (PubChem CID 7586257) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide
PubChem CID7586257
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(21)20-11-3-4-14-5-6-15(12-18(14)20)19-25(22,23)17-9-7-16(24-2)8-10-17/h5-10,12,19H,3-4,11H2,1-2H3
InChIKeyCJYWOGVNHXIUMC-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
Pfi-1
CID 71271629
6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
N-(3,4-Dimethoxybenzenesulphonyl)-1,2,3,4-tetrahydroquinoline
CID 667562
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
N-(4-methoxyphenyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3239722
N-(1-Acetyl-1,2,3,4-tetrahydroquinolin-7-YL)-4-ethoxybenzene-1-sulfonamide
CID 7517554
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide
CID 7586249
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9936405
2-(2-(2-(4-ethoxy-N-p-tolylphenylsulfonamido)acetyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetamide
CID 11519251
1-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 16031528
1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 18125907

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide (CID 7586257) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide?
The InChIKey is CJYWOGVNHXIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13(21)20-11-3-4-14-5-6-15(12-18(14)20)19-25(22,23)17-9-7-16(24-2)8-10-17/h5-10,12,19H,3-4,11H2,1-2H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 7586257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).