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

C16H17BrFNO3S — CID 90599294

IUPAC4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C16H17BrFNO3S/c1-16(22-2,14-5-3-4-6-15(14)18)11-19-23(20,21)13-9-7-12(17)8-10-13/h3-10,19H,11H2,1-2H3
InChIKeyJOTLDPMYNLBNKW-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.43
Rot. Bonds6

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

4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide (PubChem CID 90599294) has the molecular formula C16H17BrFNO3S and a molecular weight of 402.29 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
PubChem CID90599294
Molecular FormulaC16H17BrFNO3S
Molecular Weight402.29 g/mol
Exact Mass401.01
IUPAC Name4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C16H17BrFNO3S/c1-16(22-2,14-5-3-4-6-15(14)18)11-19-23(20,21)13-9-7-12(17)8-10-13/h3-10,19H,11H2,1-2H3
InChIKeyJOTLDPMYNLBNKW-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599225
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71810675
2,4-difluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599250
4-ethoxy-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethylbenzenesulfonamide
CID 90599293
5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 97428450
2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide
CID 90599295
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71810666
1-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]methanesulfonamide
CID 90599242
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide
CID 90599231
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide (CID 90599294) is 4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide is COC(C)(CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F.
What is the InChIKey of 4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
The InChIKey is JOTLDPMYNLBNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO3S/c1-16(22-2,14-5-3-4-6-15(14)18)11-19-23(20,21)13-9-7-12(17)8-10-13/h3-10,19H,11H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide?
4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide has a molecular weight of 402.29 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide is sourced from PubChem (CID 90599294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).