4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide

C15H15Br2NO2S — CID 105060233

IUPAC4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(CBr)(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H15Br2NO2S/c1-15(11-16,12-5-3-2-4-6-12)18-21(19,20)14-9-7-13(17)8-10-14/h2-10,18H,11H2,1H3
InChIKeyNDZKVGKTLOFNFP-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.04
Rot. Bonds5

About 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide

4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 105060233) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
PubChem CID105060233
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(CBr)(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H15Br2NO2S/c1-15(11-16,12-5-3-2-4-6-12)18-21(19,20)14-9-7-13(17)8-10-14/h2-10,18H,11H2,1H3
InChIKeyNDZKVGKTLOFNFP-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.04
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

3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060255
N-[1-bromo-2-(4-chlorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 11774034
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide
CID 105060223
4-methyl-N-(1-nitro-2-phenylpropan-2-yl)benzenesulfonamide
CID 135011413
4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042475
(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
CID 1471130
4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide
CID 61128073
N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide
CID 105060261
2-[(4-bromophenyl)sulfonylamino]-2-ethylbutanoic acid
CID 79806712
4-bromo-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498080
methyl 2-[(4-bromophenyl)sulfonylamino]-2-methylpropanoate
CID 60744572

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide (CID 105060233) is 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide is CC(CBr)(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is NDZKVGKTLOFNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-15(11-16,12-5-3-2-4-6-12)18-21(19,20)14-9-7-13(17)8-10-14/h2-10,18H,11H2,1H3.
What are the key properties of 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide?
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 433.17 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 105060233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).