N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C13H17BrN2O3S — CID 1120566

IUPACN-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O3S/c1-20(18,19)16(12-7-3-2-6-11(12)14)10-13(17)15-8-4-5-9-15/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyRNLKIICACQMWGL-UHFFFAOYSA-N
MW361.26 g/mol
LogP1.84
Rot. Bonds4

About N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 1120566) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID1120566
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC NameN-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O3S/c1-20(18,19)16(12-7-3-2-6-11(12)14)10-13(17)15-8-4-5-9-15/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyRNLKIICACQMWGL-UHFFFAOYSA-N
XLogP1.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N~1~-(4-bromophenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1288007
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 816034
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide
CID 1129527
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-bromophenyl)methanesulfonamide
CID 1339092
2-(3-bromo-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 2272992
N-(2-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 875483
N-(3-Fluoro-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 1084075
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide
CID 2912269
N~2~-(3-bromophenyl)-N~1~-methyl-N~2~-(methylsulfonyl)glycinamide
CID 846505
N-(4-Fluoro-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846749
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-(4-bromo-phenyl)-methanesulfonamide
CID 646614
2-[(3-Bromo-phenyl)-methanesulfonyl-amino]-acetamide
CID 846637

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 1120566) is N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is RNLKIICACQMWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c1-20(18,19)16(12-7-3-2-6-11(12)14)10-13(17)15-8-4-5-9-15/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 361.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 1120566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).