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

C16H20N2O4S3 — CID 20962985

IUPACN-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21
InChIInChI=1S/C16H20N2O4S3/c1-2-11-24(19,20)18-9-3-5-13-7-8-14(12-15(13)18)17-25(21,22)16-6-4-10-23-16/h4,6-8,10,12,17H,2-3,5,9,11H2,1H3
InChIKeyXKPZJPNEGCGXNZ-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.04
Rot. Bonds6

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

N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide (PubChem CID 20962985) has the molecular formula C16H20N2O4S3 and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
PubChem CID20962985
Molecular FormulaC16H20N2O4S3
Molecular Weight400.55 g/mol
Exact Mass400.06
IUPAC NameN-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21
InChIInChI=1S/C16H20N2O4S3/c1-2-11-24(19,20)18-9-3-5-13-7-8-14(12-15(13)18)17-25(21,22)16-6-4-10-23-16/h4,6-8,10,12,17H,2-3,5,9,11H2,1H3
InChIKeyXKPZJPNEGCGXNZ-UHFFFAOYSA-N
XLogP3.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide (CID 20962985) is N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide is CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21.
What is the InChIKey of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The InChIKey is XKPZJPNEGCGXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S3/c1-2-11-24(19,20)18-9-3-5-13-7-8-14(12-15(13)18)17-25(21,22)16-6-4-10-23-16/h4,6-8,10,12,17H,2-3,5,9,11H2,1H3.
What are the key properties of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide has a molecular weight of 400.55 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20962985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).