N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide

C15H17NO3S — CID 3246205

IUPACN-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
SMILESC[C@@](O)(CNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO3S/c1-15(17,13-8-4-2-5-9-13)12-16-20(18,19)14-10-6-3-7-11-14/h2-11,16-17H,12H2,1H3/t15-/m1/s1
InChIKeyOCFFLLSDBSKNFW-OAHLLOKOSA-N
MW291.37 g/mol
LogP1.87
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide

N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide (PubChem CID 3246205) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
PubChem CID3246205
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
SMILESC[C@@](O)(CNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO3S/c1-15(17,13-8-4-2-5-9-13)12-16-20(18,19)14-10-6-3-7-11-14/h2-11,16-17H,12H2,1H3/t15-/m1/s1
InChIKeyOCFFLLSDBSKNFW-OAHLLOKOSA-N
XLogP1.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Ethylphenylsulfonyl)-4-phenylazepan-4-ol
CID 25192457
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
N-(2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 242440
1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide
CID 71781996
2,6-difluoro-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzenesulfonamide
CID 71782180
2-Methyl-3-phenyl-1-(p-tolylsulfonyl)azetidin-3-ol
CID 496737
1-(4-Methylphenyl)sulfonyl-3-phenylazetidin-3-ol
CID 15362295
2-(1-Hydroxy-1-phenylethyl)-N-methylbenzenesulfonamide
CID 268246
4-Phenyl-1-(p-tolylsulphonyl)piperidin-4-ol
CID 98752
1-Amino-2,3-diphenylpropan-2-ol
CID 56823265
4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 11100455
N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) phenyl)-N-(2,2,2-trifluoroethyl) benzenesulfonamide
CID 129852914

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide (CID 3246205) is N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide is C[C@@](O)(CNS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
The InChIKey is OCFFLLSDBSKNFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-15(17,13-8-4-2-5-9-13)12-16-20(18,19)14-10-6-3-7-11-14/h2-11,16-17H,12H2,1H3/t15-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide?
N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 3246205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).