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

C15H15Br2NO2S — CID 105060255

IUPAC3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(CBr)(NS(=O)(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H15Br2NO2S/c1-15(11-16,12-6-3-2-4-7-12)18-21(19,20)14-9-5-8-13(17)10-14/h2-10,18H,11H2,1H3
InChIKeyWALKPPDRVIBPJZ-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.04
Rot. Bonds5

About 3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide

3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 105060255) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
PubChem CID105060255
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(CBr)(NS(=O)(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H15Br2NO2S/c1-15(11-16,12-6-3-2-4-7-12)18-21(19,20)14-9-5-8-13(17)10-14/h2-10,18H,11H2,1H3
InChIKeyWALKPPDRVIBPJZ-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

4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060233
3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
CID 114293798
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697730
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
N-(1-bromo-2-phenylpropan-2-yl)-5-ethylthiophene-2-sulfonamide
CID 105060223
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
lithium 3-bromobenzenesulfonate
CID 139842272
N-[1-bromo-2-(4-chlorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 11774034
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide
CID 60697674
1-bromo-3-(4-tert-butylphenyl)sulfonylbenzene
CID 19883608

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide (CID 105060255) is 3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide is CC(CBr)(NS(=O)(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is WALKPPDRVIBPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-15(11-16,12-6-3-2-4-7-12)18-21(19,20)14-9-5-8-13(17)10-14/h2-10,18H,11H2,1H3.
What are the key properties of 3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide?
3-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 3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 105060255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).