3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

C10H14BrNO3S2 — CID 54952444

IUPAC3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO3S2/c1-12(7-8-3-2-5-15-8)17(13,14)10-9(11)4-6-16-10/h4,6,8H,2-3,5,7H2,1H3
InChIKeyLZBXLOBHLIETNS-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.31
Rot. Bonds4

About 3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide

3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 54952444) has the molecular formula C10H14BrNO3S2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID54952444
Molecular FormulaC10H14BrNO3S2
Molecular Weight340.26 g/mol
Exact Mass338.96
IUPAC Name3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO3S2/c1-12(7-8-3-2-5-15-8)17(13,14)10-9(11)4-6-16-10/h4,6,8H,2-3,5,7H2,1H3
InChIKeyLZBXLOBHLIETNS-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
5-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 61060142
4-bromo-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650249
3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80579987
3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 54951868
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201
3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
CID 107400610
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61074023

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide (CID 54952444) is 3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide is CN(CC1CCCO1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is LZBXLOBHLIETNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S2/c1-12(7-8-3-2-5-15-8)17(13,14)10-9(11)4-6-16-10/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide?
3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 340.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 54952444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).