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

C21H20BrNO3S — CID 97413982

IUPAC2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
SMILESC[C@](O)(CNS(=O)(=O)c1ccccc1Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20BrNO3S/c1-21(24,15-23-27(25,26)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23-24H,15H2,1H3/t21-/m0/s1
InChIKeyDEYCIMLFAVRKHX-NRFANRHFSA-N
MW446.37 g/mol
LogP4.30
Rot. Bonds6

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

2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide (PubChem CID 97413982) has the molecular formula C21H20BrNO3S and a molecular weight of 446.37 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
PubChem CID97413982
Molecular FormulaC21H20BrNO3S
Molecular Weight446.37 g/mol
Exact Mass445.03
IUPAC Name2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
SMILESC[C@](O)(CNS(=O)(=O)c1ccccc1Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20BrNO3S/c1-21(24,15-23-27(25,26)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23-24H,15H2,1H3/t21-/m0/s1
InChIKeyDEYCIMLFAVRKHX-NRFANRHFSA-N
XLogP4.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 90497565
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-bromobenzenesulfonamide
CID 97104734
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 71782634
2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide
CID 121085769
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 90497578
2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365251
2-bromo-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 95379538
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070
N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
CID 97355076
4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
CID 121085734
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476
N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 90497581

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide (CID 97413982) is 2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide is C[C@](O)(CNS(=O)(=O)c1ccccc1Br)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
The InChIKey is DEYCIMLFAVRKHX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20BrNO3S/c1-21(24,15-23-27(25,26)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23-24H,15H2,1H3/t21-/m0/s1.
What are the key properties of 2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide has a molecular weight of 446.37 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 97413982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).