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

C17H20BrNO3S — CID 10046401

IUPAC4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO3S/c1-2-16(13-6-4-3-5-7-13)17(12-20)19-23(21,22)15-10-8-14(18)9-11-15/h3-11,16-17,19-20H,2,12H2,1H3/t16-,17-/m1/s1
InChIKeyYCZUORCCCJYCEV-IAGOWNOFSA-N
MW398.32 g/mol
LogP3.28
Rot. Bonds7

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

4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide (PubChem CID 10046401) has the molecular formula C17H20BrNO3S and a molecular weight of 398.32 g/mol. Its IUPAC name is 4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide
PubChem CID10046401
Molecular FormulaC17H20BrNO3S
Molecular Weight398.32 g/mol
Exact Mass397.03
IUPAC Name4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO3S/c1-2-16(13-6-4-3-5-7-13)17(12-20)19-23(21,22)15-10-8-14(18)9-11-15/h3-11,16-17,19-20H,2,12H2,1H3/t16-,17-/m1/s1
InChIKeyYCZUORCCCJYCEV-IAGOWNOFSA-N
XLogP3.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide
CID 154511654
N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 118863079
4-bromo-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]benzenesulfonamide
CID 68543624
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
4-bromo-N-[(2S,3R)-1-hydroxy-5-methyl-3-propan-2-ylhexan-2-yl]benzenesulfonamide
CID 68542469
4-cyano-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]benzenesulfonamide
CID 97239362
4-bromo-N-[(2S,3R)-1-hydroxy-3-propylnonan-2-yl]benzenesulfonamide
CID 10387409
methyl 3-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 50739470
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
N-[1-(1,3-benzothiazol-2-yl)-3-hydroxy-1-methoxypropan-2-yl]-4-bromobenzenesulfonamide
CID 23433428
3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide
CID 50740399
N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 57408242

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide (CID 10046401) is 4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide is CC[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide?
The InChIKey is YCZUORCCCJYCEV-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H20BrNO3S/c1-2-16(13-6-4-3-5-7-13)17(12-20)19-23(21,22)15-10-8-14(18)9-11-15/h3-11,16-17,19-20H,2,12H2,1H3/t16-,17-/m1/s1.
What are the key properties of 4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide?
4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide has a molecular weight of 398.32 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 10046401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).