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

C11H15Br2NO2S — CID 114293798

IUPAC3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(CBr)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H15Br2NO2S/c1-3-11(2,8-12)14-17(15,16)10-6-4-5-9(13)7-10/h4-7,14H,3,8H2,1-2H3
InChIKeyOOAGPNBKUTWSRD-UHFFFAOYSA-N
MW385.12 g/mol
LogP3.29
Rot. Bonds5

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

3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 114293798) has the molecular formula C11H15Br2NO2S and a molecular weight of 385.12 g/mol. Its IUPAC name is 3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
PubChem CID114293798
Molecular FormulaC11H15Br2NO2S
Molecular Weight385.12 g/mol
Exact Mass382.92
IUPAC Name3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(CBr)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H15Br2NO2S/c1-3-11(2,8-12)14-17(15,16)10-6-4-5-9(13)7-10/h4-7,14H,3,8H2,1-2H3
InChIKeyOOAGPNBKUTWSRD-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.12
LogP ≤ 53.29
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-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060255
N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 114293826
3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 114263610
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
N-(1-bromo-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 114293806
3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697730
N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide
CID 106170023
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114293803

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide (CID 114293798) is 3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(CBr)NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is OOAGPNBKUTWSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S/c1-3-11(2,8-12)14-17(15,16)10-6-4-5-9(13)7-10/h4-7,14H,3,8H2,1-2H3.
What are the key properties of 3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide?
3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 385.12 g/mol, XLogP of 3.29, 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-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 114293798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).