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

C11H16N2O4S2 — CID 7517949

IUPACN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2
InChIInChI=1S/C11H16N2O4S2/c1-18(14,15)12-10-6-5-9-4-3-7-13(11(9)8-10)19(2,16)17/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyYPVXHJSBHZCOKU-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.77
Rot. Bonds3

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

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide (PubChem CID 7517949) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide
PubChem CID7517949
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2
InChIInChI=1S/C11H16N2O4S2/c1-18(14,15)12-10-6-5-9-4-3-7-13(11(9)8-10)19(2,16)17/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyYPVXHJSBHZCOKU-UHFFFAOYSA-N
XLogP0.77
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.77
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)methanesulfonamide?
The IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide (CID 7517949) is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide?
The canonical SMILES for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide is CS(=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)methanesulfonamide?
The InChIKey is YPVXHJSBHZCOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-18(14,15)12-10-6-5-9-4-3-7-13(11(9)8-10)19(2,16)17/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide?
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.77, 3 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)methanesulfonamide is sourced from PubChem (CID 7517949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).