5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide

C13H14BrNO3S2 — CID 1317233

IUPAC5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H14BrNO3S2/c1-18-11-4-2-10(3-5-11)8-9-15-20(16,17)13-7-6-12(14)19-13/h2-7,15H,8-9H2,1H3
InChIKeyQHQLCMSZISAPTD-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.04
Rot. Bonds6

About 5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 1317233) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID1317233
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C13H14BrNO3S2/c1-18-11-4-2-10(3-5-11)8-9-15-20(16,17)13-7-6-12(14)19-13/h2-7,15H,8-9H2,1H3
InChIKeyQHQLCMSZISAPTD-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-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide (CID 1317233) is 5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is QHQLCMSZISAPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c1-18-11-4-2-10(3-5-11)8-9-15-20(16,17)13-7-6-12(14)19-13/h2-7,15H,8-9H2,1H3.
What are the key properties of 5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide 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-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1317233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).