N-(2-hydroxy-1-phenylethyl)methanesulfonamide

C9H13NO3S — CID 63183387

IUPACN-(2-hydroxy-1-phenylethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C9H13NO3S/c1-14(12,13)10-9(7-11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
InChIKeyPCMKOPJZQMCTTP-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.27
Rot. Bonds4

About N-(2-hydroxy-1-phenylethyl)methanesulfonamide

N-(2-hydroxy-1-phenylethyl)methanesulfonamide (PubChem CID 63183387) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)methanesulfonamide
PubChem CID63183387
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-(2-hydroxy-1-phenylethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C9H13NO3S/c1-14(12,13)10-9(7-11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
InChIKeyPCMKOPJZQMCTTP-UHFFFAOYSA-N
XLogP0.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)methanesulfonamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)methanesulfonamide (CID 63183387) is N-(2-hydroxy-1-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)methanesulfonamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)methanesulfonamide is CS(=O)(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)methanesulfonamide?
The InChIKey is PCMKOPJZQMCTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-14(12,13)10-9(7-11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3.
What are the key properties of N-(2-hydroxy-1-phenylethyl)methanesulfonamide?
N-(2-hydroxy-1-phenylethyl)methanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)methanesulfonamide is sourced from PubChem (CID 63183387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).