4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide

C19H24BrNO4S — CID 68543467

IUPAC4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(O)c1ccc(OC)cc1
InChIInChI=1S/C19H24BrNO4S/c1-4-13(2)18(19(22)14-5-9-16(25-3)10-6-14)21-26(23,24)17-11-7-15(20)8-12-17/h5-13,18-19,21-22H,4H2,1-3H3/t13-,18-,19?/m0/s1
InChIKeyJWCCOPCGOMXKJM-SVZSNDTQSA-N
MW442.38 g/mol
LogP3.88
Rot. Bonds8

About 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide

4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide (PubChem CID 68543467) has the molecular formula C19H24BrNO4S and a molecular weight of 442.38 g/mol. Its IUPAC name is 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
PubChem CID68543467
Molecular FormulaC19H24BrNO4S
Molecular Weight442.38 g/mol
Exact Mass441.06
IUPAC Name4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(O)c1ccc(OC)cc1
InChIInChI=1S/C19H24BrNO4S/c1-4-13(2)18(19(22)14-5-9-16(25-3)10-6-14)21-26(23,24)17-11-7-15(20)8-12-17/h5-13,18-19,21-22H,4H2,1-3H3/t13-,18-,19?/m0/s1
InChIKeyJWCCOPCGOMXKJM-SVZSNDTQSA-N
XLogP3.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
CID 68541981
N-[(2S,3S)-1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 154511661
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645904
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645902
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
(4-methoxyphenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 16578703
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide (CID 68543467) is 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide is CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(O)c1ccc(OC)cc1.
What is the InChIKey of 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is JWCCOPCGOMXKJM-SVZSNDTQSA-N. The full InChI is InChI=1S/C19H24BrNO4S/c1-4-13(2)18(19(22)14-5-9-16(25-3)10-6-14)21-26(23,24)17-11-7-15(20)8-12-17/h5-13,18-19,21-22H,4H2,1-3H3/t13-,18-,19?/m0/s1.
What are the key properties of 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide?
4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 442.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 68543467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).