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

C15H17BrN2O4S3 — CID 90680887

IUPAC5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc21
InChIInChI=1S/C15H17BrN2O4S3/c1-2-24(19,20)18-9-3-4-11-5-6-12(10-13(11)18)17-25(21,22)15-8-7-14(16)23-15/h5-8,10,17H,2-4,9H2,1H3
InChIKeySGWOOPIJSFTZMT-UHFFFAOYSA-N
MW465.42 g/mol
LogP3.41
Rot. Bonds5

About 5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide

5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide (PubChem CID 90680887) has the molecular formula C15H17BrN2O4S3 and a molecular weight of 465.42 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
PubChem CID90680887
Molecular FormulaC15H17BrN2O4S3
Molecular Weight465.42 g/mol
Exact Mass463.95
IUPAC Name5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc21
InChIInChI=1S/C15H17BrN2O4S3/c1-2-24(19,20)18-9-3-4-11-5-6-12(10-13(11)18)17-25(21,22)15-8-7-14(16)23-15/h5-8,10,17H,2-4,9H2,1H3
InChIKeySGWOOPIJSFTZMT-UHFFFAOYSA-N
XLogP3.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide (CID 90680887) is 5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide is CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc21.
What is the InChIKey of 5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The InChIKey is SGWOOPIJSFTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S3/c1-2-24(19,20)18-9-3-4-11-5-6-12(10-13(11)18)17-25(21,22)15-8-7-14(16)23-15/h5-8,10,17H,2-4,9H2,1H3.
What are the key properties of 5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide has a molecular weight of 465.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 90680887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).