5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide

C13H17BrN2O4S — CID 82915970

IUPAC5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESCc1cc(Br)cc(S(N)(=O)=O)c1OCC(=O)N1CCCC1
InChIInChI=1S/C13H17BrN2O4S/c1-9-6-10(14)7-11(21(15,18)19)13(9)20-8-12(17)16-4-2-3-5-16/h6-7H,2-5,8H2,1H3,(H2,15,18,19)
InChIKeyWPXWECYTYRWQIM-UHFFFAOYSA-N
MW377.26 g/mol
LogP1.41
Rot. Bonds4

About 5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide

5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide (PubChem CID 82915970) has the molecular formula C13H17BrN2O4S and a molecular weight of 377.26 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
PubChem CID82915970
Molecular FormulaC13H17BrN2O4S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESCc1cc(Br)cc(S(N)(=O)=O)c1OCC(=O)N1CCCC1
InChIInChI=1S/C13H17BrN2O4S/c1-9-6-10(14)7-11(21(15,18)19)13(9)20-8-12(17)16-4-2-3-5-16/h6-7H,2-5,8H2,1H3,(H2,15,18,19)
InChIKeyWPXWECYTYRWQIM-UHFFFAOYSA-N
XLogP1.41
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-1-piperidin-1-ylethanone
CID 115962201
5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 112620584
5-bromo-3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 115961858
2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide
CID 82915401
2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide
CID 82915317
2-(2-amino-4-bromo-6-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 79844920
5-(4-bromo-2-methyl-6-sulfamoylphenoxy)pentanoic acid
CID 63214399
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037
3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 82918055
5-bromo-2-but-2-ynoxy-3-methylbenzenesulfonamide
CID 82914496
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
2-(4-azido-2,6-dimethylphenoxy)-1-pyrrolidin-1-ylethanone
CID 169326260

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide (CID 82915970) is 5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide is Cc1cc(Br)cc(S(N)(=O)=O)c1OCC(=O)N1CCCC1.
What is the InChIKey of 5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The InChIKey is WPXWECYTYRWQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4S/c1-9-6-10(14)7-11(21(15,18)19)13(9)20-8-12(17)16-4-2-3-5-16/h6-7H,2-5,8H2,1H3,(H2,15,18,19).
What are the key properties of 5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide has a molecular weight of 377.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 82915970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).