5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide

C10H16BrNO3S2 — CID 22500893

IUPAC5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-7(2)5-8(6-13)12-17(14,15)10-4-3-9(11)16-10/h3-4,7-8,12-13H,5-6H2,1-2H3
InChIKeyHORLZWRKJYFLEO-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.20
Rot. Bonds6

About 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide (PubChem CID 22500893) has the molecular formula C10H16BrNO3S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
PubChem CID22500893
Molecular FormulaC10H16BrNO3S2
Molecular Weight342.28 g/mol
Exact Mass340.98
IUPAC Name5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-7(2)5-8(6-13)12-17(14,15)10-4-3-9(11)16-10/h3-4,7-8,12-13H,5-6H2,1-2H3
InChIKeyHORLZWRKJYFLEO-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
CID 10292550
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 10472170
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-[3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 22500884
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 65033663
5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide
CID 22500909
5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 107158212
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide
CID 61247517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide (CID 22500893) is 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide is CC(C)CC(CO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is HORLZWRKJYFLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3S2/c1-7(2)5-8(6-13)12-17(14,15)10-4-3-9(11)16-10/h3-4,7-8,12-13H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 342.28 g/mol, XLogP of 2.20, 6 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-4-methylpentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22500893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).