5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C13H14BrNO3S2 — CID 3753966

IUPAC5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C13H14BrNO3S2/c1-18-12-5-4-10(14)9-13(12)20(16,17)15-7-6-11-3-2-8-19-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyUEKNFDZNFQQZLY-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.04
Rot. Bonds6

About 5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide

5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 3753966) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID3753966
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C13H14BrNO3S2/c1-18-12-5-4-10(14)9-13(12)20(16,17)15-7-6-11-3-2-8-19-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyUEKNFDZNFQQZLY-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 3753966) is 5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCc1cccs1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is UEKNFDZNFQQZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c1-18-12-5-4-10(14)9-13(12)20(16,17)15-7-6-11-3-2-8-19-11/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 376.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3753966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).