5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide

C13H12BrNO3S2 — CID 6736413

IUPAC5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1c2ccccc2CC1O)c1ccc(Br)s1
InChIInChI=1S/C13H12BrNO3S2/c14-11-5-6-12(19-11)20(17,18)15-13-9-4-2-1-3-8(9)7-10(13)16/h1-6,10,13,15-16H,7H2
InChIKeyMOEMRRKQTAVWGQ-UHFFFAOYSA-N
MW374.28 g/mol
LogP2.45
Rot. Bonds3

About 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide

5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide (PubChem CID 6736413) has the molecular formula C13H12BrNO3S2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide
PubChem CID6736413
Molecular FormulaC13H12BrNO3S2
Molecular Weight374.28 g/mol
Exact Mass372.94
IUPAC Name5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1c2ccccc2CC1O)c1ccc(Br)s1
InChIInChI=1S/C13H12BrNO3S2/c14-11-5-6-12(19-11)20(17,18)15-13-9-4-2-1-3-8(9)7-10(13)16/h1-6,10,13,15-16H,7H2
InChIKeyMOEMRRKQTAVWGQ-UHFFFAOYSA-N
XLogP2.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide (CID 6736413) is 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide is O=S(=O)(NC1c2ccccc2CC1O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide?
The InChIKey is MOEMRRKQTAVWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3S2/c14-11-5-6-12(19-11)20(17,18)15-13-9-4-2-1-3-8(9)7-10(13)16/h1-6,10,13,15-16H,7H2.
What are the key properties of 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide?
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide has a molecular weight of 374.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 6736413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).