5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide

C13H14BrNO3S2 — CID 115754090

IUPAC5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(CO)(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C13H14BrNO3S2/c1-13(9-16,10-5-3-2-4-6-10)15-20(17,18)12-8-7-11(14)19-12/h2-8,15-16H,9H2,1H3
InChIKeyRGGWGPLRRQURQI-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.70
Rot. Bonds5

About 5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 115754090) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID115754090
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(CO)(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C13H14BrNO3S2/c1-13(9-16,10-5-3-2-4-6-10)15-20(17,18)12-8-7-11(14)19-12/h2-8,15-16H,9H2,1H3
InChIKeyRGGWGPLRRQURQI-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 56765391
5-bromo-N-[4-(3-fluorophenyl)oxan-4-yl]thiophene-2-sulfonamide
CID 72120373
5-bromo-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylthiophene-2-sulfonamide
CID 75431295
5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylthiophene-2-sulfonamide
CID 97325944
5-bromo-N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylthiophene-2-sulfonamide
CID 97325945
2-bromo-N-[1-(2-fluorophenyl)ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 105965362
2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 105970760
2-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 105971121
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-sulfonamide
CID 6736413
5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 56765303
5-bromo-N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)thiophene-2-sulfonamide
CID 71803873
(S)-5-(5-bromo-2-thienylsulfonylamino)-3-phenyl-1-pentanol
CID 99872891

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide (CID 115754090) is 5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide is CC(CO)(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is RGGWGPLRRQURQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c1-13(9-16,10-5-3-2-4-6-10)15-20(17,18)12-8-7-11(14)19-12/h2-8,15-16H,9H2,1H3.
What are the key properties of 5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 115754090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).