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

C12H18N2O4S2 — CID 7517950

IUPACN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2
InChIInChI=1S/C12H18N2O4S2/c1-3-20(17,18)13-11-7-6-10-5-4-8-14(12(10)9-11)19(2,15)16/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyQEPHGANOMNLBKD-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.16
Rot. Bonds4

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

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide (PubChem CID 7517950) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
PubChem CID7517950
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2
InChIInChI=1S/C12H18N2O4S2/c1-3-20(17,18)13-11-7-6-10-5-4-8-14(12(10)9-11)19(2,15)16/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyQEPHGANOMNLBKD-UHFFFAOYSA-N
XLogP1.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
The IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide (CID 7517950) is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
The canonical SMILES for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2.
What is the InChIKey of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
The InChIKey is QEPHGANOMNLBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-3-20(17,18)13-11-7-6-10-5-4-8-14(12(10)9-11)19(2,15)16/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide?
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide is sourced from PubChem (CID 7517950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).