5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide

C14H11BrN2O2S2 — CID 16759908

IUPAC5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3ccc(Br)s3)c2n1
InChIInChI=1S/C14H11BrN2O2S2/c1-9-5-6-10-3-2-4-11(14(10)16-9)17-21(18,19)13-8-7-12(15)20-13/h2-8,17H,1H3
InChIKeyAYRIOCYNODBNFY-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.17
Rot. Bonds3

About 5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide

5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide (PubChem CID 16759908) has the molecular formula C14H11BrN2O2S2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
PubChem CID16759908
Molecular FormulaC14H11BrN2O2S2
Molecular Weight383.29 g/mol
Exact Mass381.94
IUPAC Name5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3ccc(Br)s3)c2n1
InChIInChI=1S/C14H11BrN2O2S2/c1-9-5-6-10-3-2-4-11(14(10)16-9)17-21(18,19)13-8-7-12(15)20-13/h2-8,17H,1H3
InChIKeyAYRIOCYNODBNFY-UHFFFAOYSA-N
XLogP4.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide (CID 16759908) is 5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide is Cc1ccc2cccc(NS(=O)(=O)c3ccc(Br)s3)c2n1.
What is the InChIKey of 5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide?
The InChIKey is AYRIOCYNODBNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S2/c1-9-5-6-10-3-2-4-11(14(10)16-9)17-21(18,19)13-8-7-12(15)20-13/h2-8,17H,1H3.
What are the key properties of 5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide?
5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide has a molecular weight of 383.29 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 16759908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).