1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine

C11H14BrNO2S — CID 4885054

IUPAC1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C11H14BrNO2S/c1-9-8-10(4-5-11(9)12)16(14,15)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNHHZGIJTXHOEGP-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.54
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine

1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine (PubChem CID 4885054) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
PubChem CID4885054
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C11H14BrNO2S/c1-9-8-10(4-5-11(9)12)16(14,15)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNHHZGIJTXHOEGP-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
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1-(4-bromo-3-methylphenyl)sulfonyl-4-butan-2-ylpiperazine
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1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834649
1-(4-bromo-3-methylphenyl)sulfonyl-3-methoxy-3-methylpiperidine
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2-methyl-4-piperidin-1-ylsulfonylphenol
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tert-butyl 4-(4-bromo-3-methylphenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 58901736
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
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(3R)-1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine (CID 4885054) is 1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine is Cc1cc(S(=O)(=O)N2CCCC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine?
The InChIKey is NHHZGIJTXHOEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-9-8-10(4-5-11(9)12)16(14,15)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine?
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine has a molecular weight of 304.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 4885054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).