4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide

C15H15BrClNO2S — CID 107858568

IUPAC4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClNO2S/c1-11(13-4-6-14(17)7-5-13)18-21(19,20)15-8-2-12(10-16)3-9-15/h2-9,11,18H,10H2,1H3/t11-/m1/s1
InChIKeyQJLPNPVENDJIEW-LLVKDONJSA-N
MW388.71 g/mol
LogP4.27
Rot. Bonds5

About 4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide

4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 107858568) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID107858568
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClNO2S/c1-11(13-4-6-14(17)7-5-13)18-21(19,20)15-8-2-12(10-16)3-9-15/h2-9,11,18H,10H2,1H3/t11-/m1/s1
InChIKeyQJLPNPVENDJIEW-LLVKDONJSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 107858824
4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 65481983
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
4-(bromomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 114168203
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide (CID 107858568) is 4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is QJLPNPVENDJIEW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-11(13-4-6-14(17)7-5-13)18-21(19,20)15-8-2-12(10-16)3-9-15/h2-9,11,18H,10H2,1H3/t11-/m1/s1.
What are the key properties of 4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide?
4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 107858568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).