1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine

C14H18BrClN2O2S — CID 62959424

IUPAC1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H18BrClN2O2S/c15-11-3-4-14(13(16)9-11)21(19,20)18-8-5-12(10-18)17-6-1-2-7-17/h3-4,9,12H,1-2,5-8,10H2
InChIKeyRUCQWMKHQYNAKM-UHFFFAOYSA-N
MW393.73 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine

1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 62959424) has the molecular formula C14H18BrClN2O2S and a molecular weight of 393.73 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
PubChem CID62959424
Molecular FormulaC14H18BrClN2O2S
Molecular Weight393.73 g/mol
Exact Mass392.00
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H18BrClN2O2S/c15-11-3-4-14(13(16)9-11)21(19,20)18-8-5-12(10-18)17-6-1-2-7-17/h3-4,9,12H,1-2,5-8,10H2
InChIKeyRUCQWMKHQYNAKM-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.73
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
CID 107225177
1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]azepane
CID 86900548
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
1-(4-bromo-2-chlorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77038531
1-(4-bromo-2-chlorophenyl)sulfonyl-4-methylazepane
CID 62044969
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-5-bromoaniline
CID 63150919
2,4-dichloro-5-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 124705019
1-(4-bromo-2-chlorophenyl)sulfonyl-4-tert-butylpiperidine
CID 63420879
1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
CID 65244581
2-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115330068
(3S)-1-(2-chloro-3-methylphenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 97335258
ethyl 1-(4-bromo-2-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 42997517

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine (CID 62959424) is 1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine is O=S(=O)(c1ccc(Br)cc1Cl)N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is RUCQWMKHQYNAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O2S/c15-11-3-4-14(13(16)9-11)21(19,20)18-8-5-12(10-18)17-6-1-2-7-17/h3-4,9,12H,1-2,5-8,10H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine?
1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 393.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 62959424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).