2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide

C10H14BrNO4S2 — CID 114135006

IUPAC2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1cc(CO)sc1Br
InChIInChI=1S/C10H14BrNO4S2/c11-10-9(4-8(5-13)17-10)18(14,15)12-7-2-1-3-16-6-7/h4,7,12-13H,1-3,5-6H2
InChIKeyLMENGTZGTREPAF-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.46
Rot. Bonds4

About 2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide

2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide (PubChem CID 114135006) has the molecular formula C10H14BrNO4S2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide
PubChem CID114135006
Molecular FormulaC10H14BrNO4S2
Molecular Weight356.26 g/mol
Exact Mass354.95
IUPAC Name2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1cc(CO)sc1Br
InChIInChI=1S/C10H14BrNO4S2/c11-10-9(4-8(5-13)17-10)18(14,15)12-7-2-1-3-16-6-7/h4,7,12-13H,1-3,5-6H2
InChIKeyLMENGTZGTREPAF-UHFFFAOYSA-N
XLogP1.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 114135005
2-bromo-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106072392
4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide
CID 63362034
2-bromo-5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081522
5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081605
N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106065252
5-bromo-2-nitro-N-(oxan-3-yl)benzenesulfonamide
CID 63363283
2-amino-4,5-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360464
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63362196
2-bromo-5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 106022593
2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065308
4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55248976

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide (CID 114135006) is 2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide is O=S(=O)(NC1CCCOC1)c1cc(CO)sc1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide?
The InChIKey is LMENGTZGTREPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S2/c11-10-9(4-8(5-13)17-10)18(14,15)12-7-2-1-3-16-6-7/h4,7,12-13H,1-3,5-6H2.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide has a molecular weight of 356.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 114135006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).