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

C20H20N2O4S2 — CID 7517991

IUPACN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21
InChIInChI=1S/C20H20N2O4S2/c1-27(23,24)22-13-5-8-16-11-12-17(14-19(16)22)21-28(25,26)20-10-4-7-15-6-2-3-9-18(15)20/h2-4,6-7,9-12,14,21H,5,8,13H2,1H3
InChIKeyIFBIYPUUDNSFSW-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.35
Rot. Bonds4

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

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide (PubChem CID 7517991) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide
PubChem CID7517991
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21
InChIInChI=1S/C20H20N2O4S2/c1-27(23,24)22-13-5-8-16-11-12-17(14-19(16)22)21-28(25,26)20-10-4-7-15-6-2-3-9-18(15)20/h2-4,6-7,9-12,14,21H,5,8,13H2,1H3
InChIKeyIFBIYPUUDNSFSW-UHFFFAOYSA-N
XLogP3.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.35
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)naphthalene-1-sulfonamide?
The IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide (CID 7517991) is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide is CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21.
What is the InChIKey of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide?
The InChIKey is IFBIYPUUDNSFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-27(23,24)22-13-5-8-16-11-12-17(14-19(16)22)21-28(25,26)20-10-4-7-15-6-2-3-9-18(15)20/h2-4,6-7,9-12,14,21H,5,8,13H2,1H3.
What are the key properties of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide?
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-sulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.35, 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)naphthalene-1-sulfonamide is sourced from PubChem (CID 7517991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).