N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide

C14H15NO3S — CID 60661318

IUPACN-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccccc1CO
InChIInChI=1S/C14H15NO3S/c16-10-13-8-4-5-9-14(13)15-19(17,18)11-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2
InChIKeyPCKZIVALSFCWHL-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide

N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 60661318) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide
PubChem CID60661318
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccccc1CO
InChIInChI=1S/C14H15NO3S/c16-10-13-8-4-5-9-14(13)15-19(17,18)11-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2
InChIKeyPCKZIVALSFCWHL-UHFFFAOYSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide (CID 60661318) is N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccccc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is PCKZIVALSFCWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-10-13-8-4-5-9-14(13)15-19(17,18)11-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2.
What are the key properties of N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide?
N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 60661318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).