4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide

C13H16BrCl2NO2S — CID 63422598

IUPAC4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H16BrCl2NO2S/c14-10-7-11(15)13(12(16)8-10)20(18,19)17-6-5-9-3-1-2-4-9/h7-9,17H,1-6H2
InChIKeyDDUZXYXHBFUEMD-UHFFFAOYSA-N
MW401.15 g/mol
LogP4.61
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide (PubChem CID 63422598) has the molecular formula C13H16BrCl2NO2S and a molecular weight of 401.15 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide
PubChem CID63422598
Molecular FormulaC13H16BrCl2NO2S
Molecular Weight401.15 g/mol
Exact Mass398.95
IUPAC Name4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H16BrCl2NO2S/c14-10-7-11(15)13(12(16)8-10)20(18,19)17-6-5-9-3-1-2-4-9/h7-9,17H,1-6H2
InChIKeyDDUZXYXHBFUEMD-UHFFFAOYSA-N
XLogP4.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.15
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
4-bromo-N-[(4-bromocyclohexyl)methyl]-2,6-dichlorobenzenesulfonamide
CID 106136164
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 60640000
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
CID 115328855
2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012519
5-chloro-N-(2-cyclobutylethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 113479037

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide (CID 63422598) is 4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide is O=S(=O)(NCCC1CCCC1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide?
The InChIKey is DDUZXYXHBFUEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2NO2S/c14-10-7-11(15)13(12(16)8-10)20(18,19)17-6-5-9-3-1-2-4-9/h7-9,17H,1-6H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide has a molecular weight of 401.15 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide is sourced from PubChem (CID 63422598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).