5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide

C12H12BrNO4S2 — CID 1210570

IUPAC5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C12H12BrNO4S2/c1-17-8-3-4-10(18-2)9(7-8)14-20(15,16)12-6-5-11(13)19-12/h3-7,14H,1-2H3
InChIKeyVMNPWJSDISVGEK-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.33
Rot. Bonds5

About 5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide

5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide (PubChem CID 1210570) has the molecular formula C12H12BrNO4S2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide
PubChem CID1210570
Molecular FormulaC12H12BrNO4S2
Molecular Weight378.27 g/mol
Exact Mass376.94
IUPAC Name5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C12H12BrNO4S2/c1-17-8-3-4-10(18-2)9(7-8)14-20(15,16)12-6-5-11(13)19-12/h3-7,14H,1-2H3
InChIKeyVMNPWJSDISVGEK-UHFFFAOYSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide (CID 1210570) is 5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is VMNPWJSDISVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO4S2/c1-17-8-3-4-10(18-2)9(7-8)14-20(15,16)12-6-5-11(13)19-12/h3-7,14H,1-2H3.
What are the key properties of 5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 378.27 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 1210570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).