N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide

C15H18N2O4S3 — CID 20963034

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21
InChIInChI=1S/C15H18N2O4S3/c1-2-23(18,19)17-9-3-5-12-7-8-13(11-14(12)17)16-24(20,21)15-6-4-10-22-15/h4,6-8,10-11,16H,2-3,5,9H2,1H3
InChIKeyPUEWSTWYNODVBY-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.65
Rot. Bonds5

About N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide (PubChem CID 20963034) has the molecular formula C15H18N2O4S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
PubChem CID20963034
Molecular FormulaC15H18N2O4S3
Molecular Weight386.52 g/mol
Exact Mass386.04
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21
InChIInChI=1S/C15H18N2O4S3/c1-2-23(18,19)17-9-3-5-12-7-8-13(11-14(12)17)16-24(20,21)15-6-4-10-22-15/h4,6-8,10-11,16H,2-3,5,9H2,1H3
InChIKeyPUEWSTWYNODVBY-UHFFFAOYSA-N
XLogP2.65
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide (CID 20963034) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide is CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The InChIKey is PUEWSTWYNODVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S3/c1-2-23(18,19)17-9-3-5-12-7-8-13(11-14(12)17)16-24(20,21)15-6-4-10-22-15/h4,6-8,10-11,16H,2-3,5,9H2,1H3.
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide has a molecular weight of 386.52 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20963034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).