2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide

C15H23BrN2O2S — CID 63317024

IUPAC2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C2CCCC2)c(Br)c1
InChIInChI=1S/C15H23BrN2O2S/c1-12-7-8-15(14(16)11-12)21(19,20)17-9-10-18(2)13-5-3-4-6-13/h7-8,11,13,17H,3-6,9-10H2,1-2H3
InChIKeySNJNFXQSNYKPBT-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.91
Rot. Bonds6

About 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide

2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide (PubChem CID 63317024) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
PubChem CID63317024
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN(C)C2CCCC2)c(Br)c1
InChIInChI=1S/C15H23BrN2O2S/c1-12-7-8-15(14(16)11-12)21(19,20)17-9-10-18(2)13-5-3-4-6-13/h7-8,11,13,17H,3-6,9-10H2,1-2H3
InChIKeySNJNFXQSNYKPBT-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 61059078
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929
4-[2-[cyclopentyl(methyl)amino]ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 167943892
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
CID 81245872
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63318055
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723543
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
CID 62976254
2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 60732174
N-cyclohexyl-3-[(2,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 51274726
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63316665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide (CID 63317024) is 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCN(C)C2CCCC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is SNJNFXQSNYKPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-12-7-8-15(14(16)11-12)21(19,20)17-9-10-18(2)13-5-3-4-6-13/h7-8,11,13,17H,3-6,9-10H2,1-2H3.
What are the key properties of 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 63317024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).