4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide

C14H21BrN2O2S — CID 112504851

IUPAC4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C14H21BrN2O2S/c1-14(2,17-9-3-4-10-17)11-16-20(18,19)13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyLNHZVJLJTQKOOW-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.60
Rot. Bonds5

About 4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide

4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 112504851) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID112504851
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C14H21BrN2O2S/c1-14(2,17-9-3-4-10-17)11-16-20(18,19)13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyLNHZVJLJTQKOOW-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004882
1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 112504860
4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
CID 94909084
N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide
CID 51169466
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
CID 4798669
4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 113090353
2-[1-[(4-bromophenyl)sulfonylamino]-2-methylpropan-2-yl]oxy-2-oxoacetic acid
CID 164665320
4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248777
4-bromo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258362
methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
CID 42926829

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 112504851) is 4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of 4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is LNHZVJLJTQKOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-14(2,17-9-3-4-10-17)11-16-20(18,19)13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of 4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide?
4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 112504851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).