5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide

C12H13BrN2O4S2 — CID 90625206

IUPAC5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide
SMILESO=c1ccccn1CC(O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H13BrN2O4S2/c13-10-4-5-12(20-10)21(18,19)14-7-9(16)8-15-6-2-1-3-11(15)17/h1-6,9,14,16H,7-8H2
InChIKeyNORDVBWEEYAEIQ-UHFFFAOYSA-N
MW393.28 g/mol
LogP1.01
Rot. Bonds6

About 5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide

5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide (PubChem CID 90625206) has the molecular formula C12H13BrN2O4S2 and a molecular weight of 393.28 g/mol. Its IUPAC name is 5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide
PubChem CID90625206
Molecular FormulaC12H13BrN2O4S2
Molecular Weight393.28 g/mol
Exact Mass391.95
IUPAC Name5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide
SMILESO=c1ccccn1CC(O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H13BrN2O4S2/c13-10-4-5-12(20-10)21(18,19)14-7-9(16)8-15-6-2-1-3-11(15)17/h1-6,9,14,16H,7-8H2
InChIKeyNORDVBWEEYAEIQ-UHFFFAOYSA-N
XLogP1.01
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate
CID 90625207
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide
CID 90625175
1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one
CID 115475518
2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide
CID 90625169
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147
2-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624843
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 65222656

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide (CID 90625206) is 5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide is O=c1ccccn1CC(O)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide?
The InChIKey is NORDVBWEEYAEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O4S2/c13-10-4-5-12(20-10)21(18,19)14-7-9(16)8-15-6-2-1-3-11(15)17/h1-6,9,14,16H,7-8H2.
What are the key properties of 5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide?
5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide has a molecular weight of 393.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90625206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).