2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline

C12H15BrClNO2S — CID 103478396

IUPAC2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline
SMILESCS(=O)(=O)C1CCCC1Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H15BrClNO2S/c1-18(16,17)11-7-3-5-9(11)15-10-6-2-4-8(14)12(10)13/h2,4,6,9,11,15H,3,5,7H2,1H3
InChIKeyGZYQMEWZJICQBF-UHFFFAOYSA-N
MW352.68 g/mol
LogP3.48
Rot. Bonds3

About 2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline

2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline (PubChem CID 103478396) has the molecular formula C12H15BrClNO2S and a molecular weight of 352.68 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline
PubChem CID103478396
Molecular FormulaC12H15BrClNO2S
Molecular Weight352.68 g/mol
Exact Mass350.97
IUPAC Name2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline
SMILESCS(=O)(=O)C1CCCC1Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H15BrClNO2S/c1-18(16,17)11-7-3-5-9(11)15-10-6-2-4-8(14)12(10)13/h2,4,6,9,11,15H,3,5,7H2,1H3
InChIKeyGZYQMEWZJICQBF-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.68
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfonylcyclopentyl)naphthalen-1-amine
CID 65046366
2-bromo-N-(2-tert-butylcyclohexyl)-3-chloroaniline
CID 103478310
2-chloro-4-iodo-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044044
2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile
CID 103479056
2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
CID 79041776
5-bromo-2-methyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044140
2-bromo-5-methyl-N-(2-methylsulfonylcyclopentyl)aniline
CID 82761934
2-methyl-N-(2-methylsulfonylcyclopentyl)-3-nitroaniline
CID 65043985
2-(2-bromo-3-chloroanilino)cyclohexane-1-carbonitrile
CID 103478909
6-chloro-N-(2-methylsulfonylcyclopentyl)-1,3-benzodioxol-5-amine
CID 65044607
2-chloro-N-(2-methylsulfonylcyclopentyl)-4-nitroaniline
CID 65043875
N-(2-methylsulfonylcyclopentyl)-2-pyrazol-1-ylaniline
CID 65044226

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline?
The IUPAC name of 2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline (CID 103478396) is 2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline?
The canonical SMILES for 2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline is CS(=O)(=O)C1CCCC1Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline?
The InChIKey is GZYQMEWZJICQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S/c1-18(16,17)11-7-3-5-9(11)15-10-6-2-4-8(14)12(10)13/h2,4,6,9,11,15H,3,5,7H2,1H3.
What are the key properties of 2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline?
2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline has a molecular weight of 352.68 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-(2-methylsulfonylcyclopentyl)aniline is sourced from PubChem (CID 103478396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).