N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide

C10H15NO3S — CID 83029898

IUPACN-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H15NO3S/c1-9(12)7-11-15(13,14)8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1
InChIKeyNUJBJLNAFQLMNT-VIFPVBQESA-N
MW229.30 g/mol
LogP0.49
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide

N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide (PubChem CID 83029898) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide
PubChem CID83029898
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H15NO3S/c1-9(12)7-11-15(13,14)8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1
InChIKeyNUJBJLNAFQLMNT-VIFPVBQESA-N
XLogP0.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Hydroxyethyl)-4-methylbenzenesulfonamide
CID 1895595
Benzenesulfonamide, N-(2-hydroxypropyl)-
CID 3015760
N-(3-butoxypropyl)-1-phenylmethanesulfonamide
CID 2290683
N-(3-ethoxypropyl)-1-phenylmethanesulfonamide
CID 2180838
N-ethyl-1-(4-fluorophenyl)methanesulfonamide
CID 17741049
N-butyl-2-phenylethene-1-sulfonamide
CID 2442127
1-phenyl-N-(propan-2-yl)methanesulfonamide
CID 669278
N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
CID 11085574
N-(2-hydroxypropyl)-4-methylbenzenesulfonamide
CID 3136025
(2-Hydroxyethyl)ammonium toluene-p-sulphonate
CID 6454850
N-(2-aminoethyl)-1-phenylmethanesulfonamide
CID 20119595
N-(2-hydroxyethyl)-2,5-dimethylbenzenesulfonamide
CID 1930535

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide (CID 83029898) is N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide is C[C@H](O)CNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide?
The InChIKey is NUJBJLNAFQLMNT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO3S/c1-9(12)7-11-15(13,14)8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide?
N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 83029898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).