4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide

C12H16BrNO2S — CID 114545225

IUPAC4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO2S/c1-9-2-5-11(8-9)14-17(15,16)12-6-3-10(13)4-7-12/h3-4,6-7,9,11,14H,2,5,8H2,1H3
InChIKeyFPERSPFWJHSYBW-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.92
Rot. Bonds3

About 4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide

4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114545225) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114545225
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO2S/c1-9-2-5-11(8-9)14-17(15,16)12-6-3-10(13)4-7-12/h3-4,6-7,9,11,14H,2,5,8H2,1H3
InChIKeyFPERSPFWJHSYBW-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741660
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide
CID 7028487
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
N-(3-methylcyclopentyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114549400
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
CID 114545305

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114545225) is 4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is FPERSPFWJHSYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-9-2-5-11(8-9)14-17(15,16)12-6-3-10(13)4-7-12/h3-4,6-7,9,11,14H,2,5,8H2,1H3.
What are the key properties of 4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide?
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 318.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114545225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).