4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide

C16H17BrFNO2S — CID 113090353

IUPAC4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17BrFNO2S/c1-16(2,12-3-7-14(18)8-4-12)11-19-22(20,21)15-9-5-13(17)6-10-15/h3-10,19H,11H2,1-2H3
InChIKeyOPYDYDKXJDENCM-UHFFFAOYSA-N
MW386.29 g/mol
LogP3.84
Rot. Bonds5

About 4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide

4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide (PubChem CID 113090353) has the molecular formula C16H17BrFNO2S and a molecular weight of 386.29 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
PubChem CID113090353
Molecular FormulaC16H17BrFNO2S
Molecular Weight386.29 g/mol
Exact Mass385.01
IUPAC Name4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17BrFNO2S/c1-16(2,12-3-7-14(18)8-4-12)11-19-22(20,21)15-9-5-13(17)6-10-15/h3-10,19H,11H2,1-2H3
InChIKeyOPYDYDKXJDENCM-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide
CID 113090486
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 110291434
4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599294
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504851
4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501111
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
CID 94909084

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide (CID 113090353) is 4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide is CC(C)(CNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
The InChIKey is OPYDYDKXJDENCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2S/c1-16(2,12-3-7-14(18)8-4-12)11-19-22(20,21)15-9-5-13(17)6-10-15/h3-10,19H,11H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide has a molecular weight of 386.29 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 113090353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).