N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide

C9H13NO3S — CID 21297481

IUPACN-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CO)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H13NO3S/c1-10(8-11)14(12,13)7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyLRHNALJENWAKDG-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.40
Rot. Bonds4

About N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide

N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide (PubChem CID 21297481) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
PubChem CID21297481
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CO)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H13NO3S/c1-10(8-11)14(12,13)7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyLRHNALJENWAKDG-UHFFFAOYSA-N
XLogP0.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
CID 103924551
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
N-(5-chloropentyl)-N-methyl-1-phenylmethanesulfonamide
CID 107206464
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
N-(2-bromo-3-methoxypropyl)-N-methyl-1-phenylmethanesulfonamide
CID 80673066
N-ethyl-N-fluoro-1-phenylmethanesulfonamide
CID 118574457
(N-benzylsulfonylanilino)-ethylmercury
CID 70564903
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
2-[2-[3-[[benzylsulfonyl(methyl)amino]methyl]phenyl]acetyl]benzoic acid
CID 157207538

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide (CID 21297481) is N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide is CN(CO)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is LRHNALJENWAKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-10(8-11)14(12,13)7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide?
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 21297481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).