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

C13H20N2O4S2 — CID 20963042

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CCC2
InChIInChI=1S/C13H20N2O4S2/c1-3-20(16,17)14-12-8-7-11-6-5-9-15(13(11)10-12)21(18,19)4-2/h7-8,10,14H,3-6,9H2,1-2H3
InChIKeyLAMMSXXRRBCMCD-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.55
Rot. Bonds5

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

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide (PubChem CID 20963042) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
PubChem CID20963042
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CCC2
InChIInChI=1S/C13H20N2O4S2/c1-3-20(16,17)14-12-8-7-11-6-5-9-15(13(11)10-12)21(18,19)4-2/h7-8,10,14H,3-6,9H2,1-2H3
InChIKeyLAMMSXXRRBCMCD-UHFFFAOYSA-N
XLogP1.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide (CID 20963042) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CCC2.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
The InChIKey is LAMMSXXRRBCMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-3-20(16,17)14-12-8-7-11-6-5-9-15(13(11)10-12)21(18,19)4-2/h7-8,10,14H,3-6,9H2,1-2H3.
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide is sourced from PubChem (CID 20963042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).