4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide

C15H16BrNO3S — CID 95368070

IUPAC4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
SMILESC[C@](O)(CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H16BrNO3S/c1-15(18,12-5-3-2-4-6-12)11-17-21(19,20)14-9-7-13(16)8-10-14/h2-10,17-18H,11H2,1H3/t15-/m0/s1
InChIKeyDGHAIFZVXNKZBF-HNNXBMFYSA-N
MW370.27 g/mol
LogP2.64
Rot. Bonds5

About 4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide

4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide (PubChem CID 95368070) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
PubChem CID95368070
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
SMILESC[C@](O)(CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H16BrNO3S/c1-15(18,12-5-3-2-4-6-12)11-17-21(19,20)14-9-7-13(16)8-10-14/h2-10,17-18H,11H2,1H3/t15-/m0/s1
InChIKeyDGHAIFZVXNKZBF-HNNXBMFYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498080
(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
CID 1471130
5-bromo-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 56765391
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
CID 94909084
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 95368051
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060233
2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 97413982
2-[1-[(4-bromophenyl)sulfonylamino]-2-methylpropan-2-yl]oxy-2-oxoacetic acid
CID 164665320
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 113090353
4-bromo-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599294

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide (CID 95368070) is 4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide is C[C@](O)(CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
The InChIKey is DGHAIFZVXNKZBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-15(18,12-5-3-2-4-6-12)11-17-21(19,20)14-9-7-13(16)8-10-14/h2-10,17-18H,11H2,1H3/t15-/m0/s1.
What are the key properties of 4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 95368070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).