N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide

C19H25NO3S — CID 154511654

IUPACN-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide
SMILESCC(C)C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25NO3S/c1-15(2)13-18(16-9-5-3-6-10-16)19(14-21)20-24(22,23)17-11-7-4-8-12-17/h3-12,15,18-21H,13-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyVDTFMQHNXXMEKG-RBUKOAKNSA-N
MW347.48 g/mol
LogP3.16
Rot. Bonds8

About N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide

N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide (PubChem CID 154511654) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide
PubChem CID154511654
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide
SMILESCC(C)C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25NO3S/c1-15(2)13-18(16-9-5-3-6-10-16)19(14-21)20-24(22,23)17-11-7-4-8-12-17/h3-12,15,18-21H,13-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyVDTFMQHNXXMEKG-RBUKOAKNSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide
CID 10046401
N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 118863079
4-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]benzenesulfonamide
CID 11726725
4-bromo-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]benzenesulfonamide
CID 68543624
4-cyano-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]benzenesulfonamide
CID 97239362
5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide
CID 22500909
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
4-bromo-N-[(2S,3R)-1-hydroxy-5-methyl-3-propan-2-ylhexan-2-yl]benzenesulfonamide
CID 68542469
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 13293571

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide (CID 154511654) is N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide is CC(C)C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide?
The InChIKey is VDTFMQHNXXMEKG-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-15(2)13-18(16-9-5-3-6-10-16)19(14-21)20-24(22,23)17-11-7-4-8-12-17/h3-12,15,18-21H,13-14H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide?
N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide is sourced from PubChem (CID 154511654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).