2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C14H19BrN2O3S — CID 60732446

IUPAC2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCC2=O)c(Br)c1
InChIInChI=1S/C14H19BrN2O3S/c1-11-5-6-13(12(15)10-11)21(19,20)16-7-3-9-17-8-2-4-14(17)18/h5-6,10,16H,2-4,7-9H2,1H3
InChIKeyBTNLSNRTLPUUNO-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.05
Rot. Bonds6

About 2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 60732446) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID60732446
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCC2=O)c(Br)c1
InChIInChI=1S/C14H19BrN2O3S/c1-11-5-6-13(12(15)10-11)21(19,20)16-7-3-9-17-8-2-4-14(17)18/h5-6,10,16H,2-4,7-9H2,1H3
InChIKeyBTNLSNRTLPUUNO-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3729717
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
2-bromo-4-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115486665
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 42283291
5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide
CID 10287154
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
2-bromo-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 55573437
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024
2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylbenzenesulfonamide
CID 107165035
4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 60732446) is 2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CCCC2=O)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is BTNLSNRTLPUUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-11-5-6-13(12(15)10-11)21(19,20)16-7-3-9-17-8-2-4-14(17)18/h5-6,10,16H,2-4,7-9H2,1H3.
What are the key properties of 2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 375.29 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 60732446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).