5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide

C11H10BrNO5S3 — CID 81421805

IUPAC5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C11H10BrNO5S3/c1-20(15,16)7-2-3-9(14)8(6-7)13-21(17,18)11-5-4-10(12)19-11/h2-6,13-14H,1H3
InChIKeyKWNKBOKBRALEIX-UHFFFAOYSA-N
MW412.31 g/mol
LogP2.42
Rot. Bonds4

About 5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide

5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide (PubChem CID 81421805) has the molecular formula C11H10BrNO5S3 and a molecular weight of 412.31 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide
PubChem CID81421805
Molecular FormulaC11H10BrNO5S3
Molecular Weight412.31 g/mol
Exact Mass410.89
IUPAC Name5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C11H10BrNO5S3/c1-20(15,16)7-2-3-9(14)8(6-7)13-21(17,18)11-5-4-10(12)19-11/h2-6,13-14H,1H3
InChIKeyKWNKBOKBRALEIX-UHFFFAOYSA-N
XLogP2.42
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide (CID 81421805) is 5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide is CS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide?
The InChIKey is KWNKBOKBRALEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO5S3/c1-20(15,16)7-2-3-9(14)8(6-7)13-21(17,18)11-5-4-10(12)19-11/h2-6,13-14H,1H3.
What are the key properties of 5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide?
5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide has a molecular weight of 412.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 81421805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).