N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide

C10H15NO3S — CID 11085574

IUPACN-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)CO)cc1
InChIInChI=1S/C10H15NO3S/c1-8-3-5-10(6-4-8)15(13,14)11-9(2)7-12/h3-6,9,11-12H,7H2,1-2H3/t9-/m0/s1
InChIKeyGMRUIWLGWXFWAI-VIFPVBQESA-N
MW229.30 g/mol
LogP0.65
Rot. Bonds4

About N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide

N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 11085574) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
PubChem CID11085574
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)CO)cc1
InChIInChI=1S/C10H15NO3S/c1-8-3-5-10(6-4-8)15(13,14)11-9(2)7-12/h3-6,9,11-12H,7H2,1-2H3/t9-/m0/s1
InChIKeyGMRUIWLGWXFWAI-VIFPVBQESA-N
XLogP0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide (CID 11085574) is N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C)CO)cc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is GMRUIWLGWXFWAI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8-3-5-10(6-4-8)15(13,14)11-9(2)7-12/h3-6,9,11-12H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide?
N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11085574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).