5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide

C10H16BrNO3S2 — CID 22500739

IUPAC5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)C(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-3-7(2)8(6-13)12-17(14,15)10-5-4-9(11)16-10/h4-5,7-8,12-13H,3,6H2,1-2H3
InChIKeySJCYWOBWVVTLOL-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.20
Rot. Bonds6

About 5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide (PubChem CID 22500739) has the molecular formula C10H16BrNO3S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
PubChem CID22500739
Molecular FormulaC10H16BrNO3S2
Molecular Weight342.28 g/mol
Exact Mass340.98
IUPAC Name5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)C(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-3-7(2)8(6-13)12-17(14,15)10-5-4-9(11)16-10/h4-5,7-8,12-13H,3,6H2,1-2H3
InChIKeySJCYWOBWVVTLOL-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide (CID 22500739) is 5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide is CCC(C)C(CO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is SJCYWOBWVVTLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3S2/c1-3-7(2)8(6-13)12-17(14,15)10-5-4-9(11)16-10/h4-5,7-8,12-13H,3,6H2,1-2H3.
What are the key properties of 5-bromo-N-(1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-hydroxy-3-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-3-methylpentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22500739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).