5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide

C9H14BrNO3S3 — CID 90523153

IUPAC5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO3S3/c1-9(12,6-15-2)5-11-17(13,14)8-4-3-7(10)16-8/h3-4,11-12H,5-6H2,1-2H3
InChIKeyIBQQQNQRJLSSBP-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.90
Rot. Bonds6

About 5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide

5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide (PubChem CID 90523153) has the molecular formula C9H14BrNO3S3 and a molecular weight of 360.32 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
PubChem CID90523153
Molecular FormulaC9H14BrNO3S3
Molecular Weight360.32 g/mol
Exact Mass358.93
IUPAC Name5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO3S3/c1-9(12,6-15-2)5-11-17(13,14)8-4-3-7(10)16-8/h3-4,11-12H,5-6H2,1-2H3
InChIKeyIBQQQNQRJLSSBP-UHFFFAOYSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide
CID 65110898
5-bromo-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 56765391
2-bromo-4-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 103835590
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbenzenesulfonamide
CID 103835619
5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 115638717
2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 103835588
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoate
CID 103835697
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-5-sulfonamide
CID 106245543
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 90523077
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-2-methylpropanoate
CID 51131047
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide (CID 90523153) is 5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide is CSCC(C)(O)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide?
The InChIKey is IBQQQNQRJLSSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO3S3/c1-9(12,6-15-2)5-11-17(13,14)8-4-3-7(10)16-8/h3-4,11-12H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide?
5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide has a molecular weight of 360.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 90523153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).