N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide

C10H15NO3S — CID 18184253

IUPACN-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H15NO3S/c1-11(7-8-12)15(13,14)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyNDROGVPWYAYVNQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.44
Rot. Bonds5

About N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide

N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide (PubChem CID 18184253) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide
PubChem CID18184253
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H15NO3S/c1-11(7-8-12)15(13,14)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyNDROGVPWYAYVNQ-UHFFFAOYSA-N
XLogP0.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide (CID 18184253) is N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide is CN(CCO)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is NDROGVPWYAYVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-11(7-8-12)15(13,14)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide?
N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 18184253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).