1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine

C13H17BrClNO2S — CID 63400724

IUPAC1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1Br)N1CCCC1CCCCl
InChIInChI=1S/C13H17BrClNO2S/c14-12-7-1-2-8-13(12)19(17,18)16-10-4-6-11(16)5-3-9-15/h1-2,7-8,11H,3-6,9-10H2
InChIKeyHWGAHRYCJQUSRJ-UHFFFAOYSA-N
MW366.71 g/mol
LogP3.62
Rot. Bonds5

About 1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine

1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine (PubChem CID 63400724) has the molecular formula C13H17BrClNO2S and a molecular weight of 366.71 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine
PubChem CID63400724
Molecular FormulaC13H17BrClNO2S
Molecular Weight366.71 g/mol
Exact Mass364.99
IUPAC Name1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine
SMILESO=S(=O)(c1ccccc1Br)N1CCCC1CCCCl
InChIInChI=1S/C13H17BrClNO2S/c14-12-7-1-2-8-13(12)19(17,18)16-10-4-6-11(16)5-3-9-15/h1-2,7-8,11H,3-6,9-10H2
InChIKeyHWGAHRYCJQUSRJ-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.71
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine
CID 63396570
2-(2-bromoethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80670333
1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951
1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316542
2-(3-bromopropyl)-1-(2-methylphenyl)sulfonylpyrrolidine
CID 80675411
2-(3-bromopropyl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 80674099
1-(2-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 47104020
2-(3-chloropropyl)-1-(2-methylsulfonylphenyl)pyrrolidine
CID 55182800
2-(3-chloropropyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 63400723
1-(2-bromophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036015
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
2-(3-bromopropyl)-1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 80674869

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine (CID 63400724) is 1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine is O=S(=O)(c1ccccc1Br)N1CCCC1CCCCl.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine?
The InChIKey is HWGAHRYCJQUSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2S/c14-12-7-1-2-8-13(12)19(17,18)16-10-4-6-11(16)5-3-9-15/h1-2,7-8,11H,3-6,9-10H2.
What are the key properties of 1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine?
1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine has a molecular weight of 366.71 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine is sourced from PubChem (CID 63400724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).