1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine

C12H16BrNO2S — CID 63219211

IUPAC1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2S/c1-12(2)8-3-9-14(12)17(15,16)11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyFTCRVNOMWGLJDE-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.01
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine

1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine (PubChem CID 63219211) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
PubChem CID63219211
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2S/c1-12(2)8-3-9-14(12)17(15,16)11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyFTCRVNOMWGLJDE-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 63215909
1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219170
1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine
CID 158822852
1-(3-bromo-4-methoxyphenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219127
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline
CID 63219174
2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 115330070
1-(4-bromophenyl)sulfonyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83075489
N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 63217971
2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 112689420
4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane
CID 4220097
3-[4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]prop-2-yn-1-amine
CID 63218875
4-bromo-5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methyltriazole
CID 106467983

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine (CID 63219211) is 1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine is CC1(C)CCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine?
The InChIKey is FTCRVNOMWGLJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-12(2)8-3-9-14(12)17(15,16)11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine?
1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine has a molecular weight of 318.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 63219211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).