4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide

C12H16BrNO2S — CID 28632510

IUPAC4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2S/c1-14(11-4-2-3-5-11)17(15,16)12-8-6-10(13)7-9-12/h6-9,11H,2-5H2,1H3
InChIKeyPEMXJPICXBYHBQ-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.01
Rot. Bonds3

About 4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide

4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide (PubChem CID 28632510) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
PubChem CID28632510
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2S/c1-14(11-4-2-3-5-11)17(15,16)12-8-6-10(13)7-9-12/h6-9,11H,2-5H2,1H3
InChIKeyPEMXJPICXBYHBQ-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165024
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 47113368
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528
2-(4-bromophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 2969352
4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650712
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
N-cyclopentyl-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 112820136

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide (CID 28632510) is 4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide is CN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide?
The InChIKey is PEMXJPICXBYHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-14(11-4-2-3-5-11)17(15,16)12-8-6-10(13)7-9-12/h6-9,11H,2-5H2,1H3.
What are the key properties of 4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide?
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide has a molecular weight of 318.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 28632510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).