4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

C17H20N2O5S2 — CID 7517962

IUPAC4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1
InChIInChI=1S/C17H20N2O5S2/c1-24-15-7-9-16(10-8-15)26(22,23)18-14-6-5-13-4-3-11-19(17(13)12-14)25(2,20)21/h5-10,12,18H,3-4,11H2,1-2H3
InChIKeyDLKPYSMNPQUPCG-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.21
Rot. Bonds5

About 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (PubChem CID 7517962) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
PubChem CID7517962
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1
InChIInChI=1S/C17H20N2O5S2/c1-24-15-7-9-16(10-8-15)26(22,23)18-14-6-5-13-4-3-11-19(17(13)12-14)25(2,20)21/h5-10,12,18H,3-4,11H2,1-2H3
InChIKeyDLKPYSMNPQUPCG-UHFFFAOYSA-N
XLogP2.21
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7517975
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 43990576
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178
4-methoxy-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
CID 112506311
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 7517976
4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 162671172
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide
CID 43990532
2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517968
4-ethyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963035

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (CID 7517962) is 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1.
What is the InChIKey of 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The InChIKey is DLKPYSMNPQUPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-24-15-7-9-16(10-8-15)26(22,23)18-14-6-5-13-4-3-11-19(17(13)12-14)25(2,20)21/h5-10,12,18H,3-4,11H2,1-2H3.
What are the key properties of 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 396.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 7517962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).