N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide

C18H22N2O5S2 — CID 43990576

IUPACN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(OC)cc1)CCC2
InChIInChI=1S/C18H22N2O5S2/c1-3-26(21,22)19-15-7-6-14-5-4-12-20(18(14)13-15)27(23,24)17-10-8-16(25-2)9-11-17/h6-11,13,19H,3-5,12H2,1-2H3
InChIKeyDWGYOYKFNRYMDF-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.60
Rot. Bonds6

About N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide

N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide (PubChem CID 43990576) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
PubChem CID43990576
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(OC)cc1)CCC2
InChIInChI=1S/C18H22N2O5S2/c1-3-26(21,22)19-15-7-6-14-5-4-12-20(18(14)13-15)27(23,24)17-10-8-16(25-2)9-11-17/h6-11,13,19H,3-5,12H2,1-2H3
InChIKeyDWGYOYKFNRYMDF-UHFFFAOYSA-N
XLogP2.60
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide
CID 43955928
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
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]cyclopentanecarboxamide
CID 16825810
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]-2,4-dimethoxybenzenesulfonamide
CID 43990532
1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
CID 43990533
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-(2-methylphenoxy)acetamide
CID 16835405
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7586748

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide (CID 43990576) is N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(OC)cc1)CCC2.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide?
The InChIKey is DWGYOYKFNRYMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-3-26(21,22)19-15-7-6-14-5-4-12-20(18(14)13-15)27(23,24)17-10-8-16(25-2)9-11-17/h6-11,13,19H,3-5,12H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide?
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 2.60, 6 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-7-yl]ethanesulfonamide is sourced from PubChem (CID 43990576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).