N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide

C20H26N2O5S2 — CID 43955928

IUPACN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)CC(C)C)ccc32)cc1
InChIInChI=1S/C20H26N2O5S2/c1-15(2)14-28(23,24)21-17-6-11-20-16(13-17)5-4-12-22(20)29(25,26)19-9-7-18(27-3)8-10-19/h6-11,13,15,21H,4-5,12,14H2,1-3H3
InChIKeyWIPGVMDJVAAGFX-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.23
Rot. Bonds7

About N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide

N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide (PubChem CID 43955928) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide
PubChem CID43955928
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)CC(C)C)ccc32)cc1
InChIInChI=1S/C20H26N2O5S2/c1-15(2)14-28(23,24)21-17-6-11-20-16(13-17)5-4-12-22(20)29(25,26)19-9-7-18(27-3)8-10-19/h6-11,13,15,21H,4-5,12,14H2,1-3H3
InChIKeyWIPGVMDJVAAGFX-UHFFFAOYSA-N
XLogP3.23
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 27368896
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide
CID 43955930
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxyethanesulfonamide
CID 7498951
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 27443573
2-(4-methoxyphenoxy)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18565018
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3,4-dimethylbenzamide
CID 27510027
2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27443582
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide (CID 43955928) is N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide is COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)CC(C)C)ccc32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide?
The InChIKey is WIPGVMDJVAAGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-15(2)14-28(23,24)21-17-6-11-20-16(13-17)5-4-12-22(20)29(25,26)19-9-7-18(27-3)8-10-19/h6-11,13,15,21H,4-5,12,14H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide?
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide has a molecular weight of 438.57 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 43955928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).